UTEP Faculty Profiles

Main Content

Tunna Baruah

Professor
Physics
Computational Science

Office Building: Physical Sciences Building
Office Room: 120
Phone: (915) 747-7529
Email: tbaruah@utep.edu

Bio

No info available.

Awards and Honors

Miguel Izquierdo Teaching Excellence Award (09/01/2019-09/30/2019)
ONR Summer Faculty Award - Office of Naval Research (06/01/2006-06/30/2006)
Graduate Aptitude Test in Engineering. (01/01/1992-12/31/1992)
Research fellowship award for PhD (1995-2000) - National Eligibility Test for Teaching and Research held by Council of Scientific and Industrial Research (01/01/1992-12/31/1992)
National Merti Scholarship, India (06/01/1985-06/30/1985)
Member of American Physical Society and American Chemical Society.

Education

Ph D in Condensed Matter Physics/Solid State Physics, University of Pune (2000)

Publications

How well do one-electron self-interaction-correction methods perform for systems with fractional electrons? Journal of Chemical Physics (2024), Rajendra Zope, Yoh Yamamoto, Tunna Baruah.
Use of FLOSIC for understanding anion-solvent interactions. The Journal of chemical physics 159 15 (2023), Mark R. Pederson, Withanage KPK, Z Hooshmand, A I. Johnson, Tunna Baruah, Yoh Yamamoto, Rajendra Zope, D Y. Kao, P B. Shukla, J K. Johnson, J E. Peralta, K A. Jackson.
Use of FLOSIC for understanding anion-solvent interactions Journal of Chemical Physics 159 (2023), Mark R. Pederson, Kushanta Withanage, Zahra Hooshmand, Alexander Johnson, , Tunna Baruah, Yoh Yamamoto, Rajendra Zope, Der-you Kao, Priyanka Shukla, J. K. Johnson, Juan Peralta, Koblar Jackson.
Pressure-Dependent Magnetic Properties of Quasi-2D Cr2Si2Te6 and Mn3Si2Te6 The Journal of Physical Chemistry C 127 21 (2023), Rubyann Olmos, Po-Hao Chang, Prakash Mishra, Rajendra Zope, Tunna Baruah, Yu Liu, , Srinivasa R. Singamaneni.
Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods The Journal of Chemical Physics 158 16 (2023), Peter Ufondu, Po-Hao Chang, Tunna Baruah, Rajendra Zope.
Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods. The Journal of chemical physics 158 16 (2023), P Ufondu, P H. Chang, Tunna Baruah, Rajendra Zope.
How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions? The journal of physical chemistry. A 127 7 (2023), P B. Shukla, P Mishra, Tunna Baruah, Rajendra Zope, K A. Jackson, J K. Johnson.
Downward Quantum Learning from Element 118: Automated Generation of Fermi-L\"owdin Orbitals for all Atoms Journal of Chemical Physics (2023), Mark R. Pederson, Johnson I. Alexander, Kushantha P. Withanaga, Sherab Dolma, Jose G. Bravo Flores, Zahra Hooshmand, Kusal Khandal, Tunna R. Baruah, Koblar A. Jackson.
Self-consistent implementation of locally scaled self-interaction-correction method. The Journal of chemical physics 158 6 (2023), Yoh Yamamoto, Tunna Baruah, P H. Chang, S Romero, Rajendra Zope.
How Do Self-Interaction Errors Associated with Stretched Bonds Affect Barrier Height Predictions? Journal of Physical Chemistry A 127 (2023), Priyanka Shukla, Prakash Mishra, Tunna Baruah, Rajendra Zope, Koblar A. Jackson, J. K. Johnson.
Self-consistent implementation of locally scaled self-interaction-correction method The Journal of Chemical Physics 158 6 (2023), Yoh Yamamoto, Tunna Baruah, Po-Hao Chang, Selim Romero, Rajendra Zope.
Self-consistent implementation of locally scaled self-interaction-correction method The Journal of Chemical Physics 158 6 (2023), Yoh Yamamoto, Tunna Baruah, Po-Hao Chang, Selim Romero, Rajendra Zope.
Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study The Journal of Chemical Physics 158 5 (2023), Selim Romero, Tunna Baruah, Rajendra Zope.
Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study. The Journal of chemical physics 158 5 (2023), S Romero, Tunna Baruah, Rajendra Zope.
Downward quantum learning from element 118: Automated generation of Fermi–Löwdin orbitals for all atoms Journal of Chemical Physics 158 (2023), Mark R. Pederson, Alexander Johnson, Kushanta Withanage, Sherab Dolma, Gustavo Flores, Zahra Hosshmand, Kusal Khandal, Peter Lasode, Tunna Baruah, Koblar Jackson.
Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods The Journal of Physical Chemistry A 126 12 (2022), Prakash Mishra, Yoh Yamamoto, Po-Hao Chang, Duyen B. Nguyen, Juan E. Peralta, Tunna Baruah, Rajendra Zope.
Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods. The journal of physical chemistry. A 126 12 (2022), P Mishra, Yoh Yamamoto, P H. Chang, D B. Nguyen, J E. Peralta, Tunna Baruah, Rajendra Zope.
Study of self-interaction-errors in barrier heights using locally scaled and Perdew-Zunger self-interaction methods. The Journal of chemical physics 156 1 (2022), P Mishra, Yoh Yamamoto, J K. Johnson, K A. Jackson, Rajendra Zope, Tunna Baruah.
Study of self-interaction-errors in barrier heights using locally scaled and Perdew–Zunger self-interaction methods The Journal of Chemical Physics 156 1 (2022), Prakash Mishra, Yoh Yamamoto, J. K. Johnson, Koblar A. Jackson, Rajendra Zope, Tunna Baruah.
Self-consistent implementation of locally scaled self-interaction-correction method arXiv preprint arXiv:2211.03931 (2022), Yoh Yamamoto, Tunna Baruah, Po-Hao Chang, Selim Romero, Rajendra Zope.
Spin-state Gaps and Self-Interaction-Corrected Density Functional Approximations: Octahedral Fe (II) Complexes as Case Study The Journal of Chemical Physics (2022), Selim Romero, Tunna Baruah, Rajendra Zope.
Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods JOURNAL OF PHYSICAL CHEMISTRY A 126 12 (2022), Prakash Mishra, Yoh Yamamoto, Po-Hao Chang, Duyen B. Nguyen, Juan E. Peralta, Tunna Baruah, Rajendra Zope.
Study of self-interaction-errors in barrier heights using locally scaled and Perdew--Zunger self-interaction methods The Journal of Chemical Physics 156 1 (2022), Prakash Mishra, Yoh Yamamoto, Rajendra Zope, Tunna Baruah, Prakash Mishra, Yoh Yamamoto, Rajendra Zope, Tunna Baruah.
Study of self-interaction-errors in barrier heights using locally scaled and Perdew–Zunger self-interaction methods Journal of Chemical Physics 156 (2022), Prakash Mishra, Yoh Yamamoto, J. K. Johnson, Koblar A. Jackson, Rajendra R. Zope, Tunna Baruah.
How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations? Physical chemistry chemical physics : PCCP 23 34 (2021), S Akter, J A. Vargas, K Sharkas, J E. Peralta, K A. Jackson, Tunna Baruah, Rajendra Zope.
Self-interaction-corrected Kohn-Sham effective potentials using the density-consistent effective potential method. The Journal of chemical physics 155 6 (2021), C M. Diaz, Luis Basurto, S Adhikari, Yoh Yamamoto, A Ruzsinszky, Tunna Baruah, Rajendra Zope.
Self-interaction-corrected Kohn–Sham effective potentials using the density-consistent effective potential method The Journal of Chemical Physics 155 6 (2021), Carlos M. Diaz, Luis Basurto, Santosh Adhikari, Yoh Yamamoto, Adrienn Ruzsinszky, Tunna Baruah, Rajendra Zope.
Self-interaction-corrected Kohn–Sham effective potentials using the density-consistent effective potential method The Journal of Chemical Physics 155 6 (2021), Carlos M. Diaz, Luis Basurto, Santosh Adhikari, Yoh Yamamoto, Adrienn Ruzsinszky, Tunna Baruah, Rajendra Zope.
Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations The Journal of Chemical Physics 154 11 (2021), Sharmin Akter, Yoh Yamamoto, Rajendra Zope, Tunna Baruah.
Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations The Journal of Chemical Physics 154 11 (2021), Sharmin Akter, Yoh Yamamoto, Rajendra Zope, Tunna Baruah.
Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations. The Journal of chemical physics 154 11 (2021), S Akter, Yoh Yamamoto, Rajendra Zope, Tunna Baruah.
Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Löwdin orbitals. The Journal of chemical physics 154 8 (2021), C M. Diaz, P Suryanarayana, Qianying Xu, Tunna Baruah, J E. Pask, Rajendra Zope.
Implementation of Perdew–Zunger self-interaction correction in real space using Fermi–Löwdin orbitals The Journal of Chemical Physics 154 8 (2021), Carlos M. Diaz, Phanish Suryanarayana, Qimen Xu, Tunna Baruah, John E. Pask, Rajendra Zope.
Density-related properties from self-interaction corrected density functional theory calculations The Journal of Chemical Physics 154 2 (2021), Kushantha P. Withanage, Puskar Bhattarai, Juan E. Peralta, Rajendra Zope, Tunna Baruah, John P. Perdew, Koblar A. Jackson.
Density-related properties from self-interaction corrected density functional theory calculations. The Journal of chemical physics 154 2 (2021), Withanage KPK, P Bhattarai, J E. Peralta, Rajendra Zope, Tunna Baruah, J P. Perdew, K A. Jackson.
Density-related properties from self-interaction corrected density functional theory calculations JOURNAL OF CHEMICAL PHYSICS 154 2 (2021), Withanage, Kushantha P. K., Puskar Bhattarai, Juan E. Peralta, Rajendra Zope, Tunna Baruah, John P. Perdew, Koblar A. Jackson.
Fermi-Lowdin-orbital self-interaction correction using the optimized-effective-potential method within the Krieger-Li-Iafrate approximation PHYSICAL REVIEW A 103 4 (2021), Carlos M. Diaz, Tunna Baruah, Rajendra Zope.
How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations? PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 34 (2021), Sharmin Akter, Jorge A. Vargas, Kamal Sharkas, Juan E. Peralta, Koblar A. Jackson, Tunna Baruah, Rajendra Zope.
Implementation of Perdew-Zunger self-interaction correction in real space using Fermi-Lowdin orbitals JOURNAL OF CHEMICAL PHYSICS 154 8 (2021), Carlos M. Diaz, Phanish Suryanarayana, Qimen Xu, Tunna Baruah, John E. Pask, Rajendra Zope.
Local self-interaction correction method with a simple scaling factor PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23 3 (2021), Selim Romero, Yoh Yamamoto, Tunna Baruah, Rajendra Zope.
Local self-interaction correction method with a simple scaling factor Physical Chemistry Chemical Physics 23 3 (2021), Selim Romero, Yoh Yamamoto, Tunna Baruah, Rajendra Zope.
Self-interaction-corrected Kohn-Sham effective potentials using the density-consistent effective potential method JOURNAL OF CHEMICAL PHYSICS 155 6 (2021), Carlos M. Diaz, Luis Basurto, Santosh Adhikari, Yoh Yamamoto, Adrienn Ruzsinszky, Tunna Baruah, Rajendra Zope.
Static dipole polarizabilities of polyacenes using self-interaction-corrected density functional approximations JOURNAL OF CHEMICAL PHYSICS 154 11 (2021), Sharmin Akter, Yoh Yamamoto, Rajendra Zope, Tunna Baruah.
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods. The Journal of chemical physics 153 16 (2020), S Akter, Yoh Yamamoto, C M. Diaz, K A. Jackson, Rajendra Zope, Tunna Baruah.
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled self-interaction corrected methods The Journal of Chemical Physics 153 16 (2020), Sharmin Akter, Yoh Yamamoto, Carlos M. Diaz, Koblar A. Jackson, Rajendra Zope, Tunna Baruah.
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew–Zunger and locally scaled self-interaction corrected methods The Journal of Chemical Physics 153 16 (2020), Sharmin Akter, Yoh Yamamoto, Carlos M. Diaz, Koblar A. Jackson, Rajendra Zope, Tunna Baruah.
Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA. Physical chemistry chemical physics : PCCP 22 32 (2020), Yoh Yamamoto, A Salcedo, C M. Diaz, Md Asif Ul Alam, Tunna Baruah, Rajendra Zope.
Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA Physical Chemistry Chemical Physics 22 32 (2020), Yoh Yamamoto, Alan Salcedo, Carlos M. Diaz, Md Shamsul Alam, Tunna Baruah, Rajendra Zope.
Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA Physical Chemistry Chemical Physics 22 32 (2020), Yoh Yamamoto, Alan Salcedo, Carlos M. Diaz, Md S. Alam, Tunna Baruah, Rajendra Zope.
Self-interaction error overbinds water clusters but cancels in structural energy differences Proceedings of the National Academy of Sciences 117 21 (2020), Kamal Sharkas, Kamal Wagle, Biswajit Santra, Sharmin Akter, Rajendra Zope, Tunna Baruah, Koblar A. Jackson, John P. Perdew, Juan E. Peralta.
Self-interaction error overbinds water clusters but cancels in structural energy differences. Proceedings of the National Academy of Sciences of the United States of America 117 21 (2020), K Sharkas, K Wagle, B Santra, S Akter, Rajendra Zope, Tunna Baruah, K A. Jackson, J P. Perdew, J E. Peralta.
Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions. The Journal of chemical physics 152 17 (2020), Yoh Yamamoto, S Romero, Tunna Baruah, Rajendra Zope.
Improvements in the orbitalwise scaling down of Perdew–Zunger self-interaction correction in many-electron regions The Journal of Chemical Physics 152 17 (2020), Yoh Yamamoto, Selim Romero, Tunna Baruah, Rajendra Zope.
Improvements in the orbitalwise scaling down of Perdew–Zunger self-interaction correction in many-electron regions The Journal of Chemical Physics 152 17 (2020), Yoh Yamamoto, Selim Romero, Tunna Baruah, Rajendra Zope.
Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions The Journal of Chemical Physics 152 17 (2020), Yoh Yamamoto, Romero Selim, Tunna Baruah, Rajendra Zope.
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correctio The Journal of Chemical Physics (2020), Rajendra Zope, Tunna Baruah.
Importance of self-interaction-error removal in density functional calculations on water cluster anions. Physical chemistry chemical physics : PCCP 22 7 (2020), J Vargas, P Ufondu, Tunna Baruah, Yoh Yamamoto, K A. Jackson, Rajendra Zope.
Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 32 (2020), Yoh Yamamoto, Alan Salcedo, Carlos M. Diaz, Md S. Alam, Tunna Baruah, Rajendra Zope.
Importance of self-interaction-error removal in density functional calculations on water cluster anions Physical Chemistry Chemical Physics 22 7 (2020), Jorge Vargas, Peter Ufondu, Tunna Baruah, Yoh Yamamoto, Koblar A. Jackson, Rajendra Zope.
Importance of self-interaction-error removal in density functional calculations on water cluster anions PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22 7 (2020), Jorge Vargas, Peter Ufondu, Tunna Baruah, Yoh Yamamoto, Koblar A. Jackson, Rajendra Zope.
Improvements in the orbitalwise scaling down of Perdew-Zunger self-interaction correction in many-electron regions JOURNAL OF CHEMICAL PHYSICS 152 17 (2020), Yoh Yamamoto, Selim Romero, Tunna Baruah, Rajendra Zope.
Self-interaction error overbinds water clusters but cancels in structural energy differences PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 117 21 (2020), Kamal Sharkasa, Kamal Wagle, Biswajit Santra, Sharmin Akter, Rajendra Zope, Tunna Baruah, Koblar A. Jackson, John P. Perdew, Juan E. Peralta.
Self-interaction error overbinds water clusters but cancels in structural energy differences PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 117 21 (2020), Kamal Sharkasa, Kamal Wagle, Biswajit Santra, Sharmin Akter, Rajendra Zope, Tunna Baruah, Koblar A. Jackson, John P. Perdew, Juan E. Peralta.
Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods JOURNAL OF CHEMICAL PHYSICS 153 16 (2020), Sharmin Akter, Yoh Yamamoto, Carlos M. Diaz, Koblar A. Jackson, Rajendra Zope, Tunna Baruah.
Zn(II)-Porphyrin-Squaraine Dyads as Potential Components for Dye-Sensitized Solar Cells: A Quantum Chemical Study of Optical and Charge Transport Properties JOURNAL OF PHYSICAL CHEMISTRY C 124 24 (2020), Merlys Borges-Martinez, Nicolas Montenegro-Pohlhammer, Yoh Yamamoto, Tunna Baruah, Gloria Cardenas-Jiron.
Importance of self-interaction-error removal in density functional calculations on water cluster anions Physical Chemistry Chemical Physics (2019), Rajendra Zope, Tunna Baruah.
Importance of self-interaction-error removal in density functional calculations on water cluster anions Physical Chemistry Chemical Physic 22 7 (2019), Jorge Vargas, Peter Ufondu, Tunna Baruah, Yoh Yamamoto, Koblar A. Jackson, Rajendra Zope.
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction The Journal of Chemical Physics 151 21 (2019), Rajendra Zope, Yoh Yamamoto, Carlos M. Diaz, Tunna Baruah, Juan E. Peralta, Koblar A. Jackson, Biswajit Santra, John P. Perdew.
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction The Journal of Chemical Physics 151 21 (2019), Rajendra Zope, Yoh Yamamoto, Carlos M. Diaz, Tunna Baruah, Juan E. Peralta, Koblar A. Jackson, Biswajit Santra, John P. Perdew.
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. The Journal of chemical physics 151 21 (2019), Rajendra Zope, Yoh Yamamoto, C M. Diaz, Tunna Baruah, J E. Peralta, K A. Jackson, B Santra, J P. Perdew.
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction The Journal of Chemical Physics 151 21 (2019), Rajendra Zope, Yoh Yamamoto, Carlos M. Diaz, Tunna Baruah, Juan E. Peralta, Koblar A. Jackson, Biswajit Santra, John P. Perdew.
The effect of self-interaction error on electrostatic dipoles calculated using density functional theory The Journal of Chemical Physics 151 17 (2019), Alexander I. Johnson, Kushantha P. Withanage, Kamal Sharkas, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, Juan E. Peralta, Koblar A. Jackson.
The effect of self-interaction error on electrostatic dipoles calculated using density functional theory The Journal of Chemical Physics 151 17 (2019), Alexander I. Johnson, Kushantha P. Withanage, Kamal Sharkas, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, Juan E. Peralta, Koblar A. Jackson.
The effect of self-interaction error on electrostatic dipoles calculated using density functional theory. The Journal of chemical physics 151 17 (2019), A I. Johnson, Withanage KPK, K Sharkas, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, J E. Peralta, K A. Jackson.
Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional The Journal of Chemical Physics 151 15 (2019), Yoh Yamamoto, Carlos M. Diaz, Luis Basurto, Koblar A. Jackson, Tunna Baruah, Rajendra Zope.
Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional The Journal of Chemical Physics 151 15 (2019), Yoh Yamamoto, Carlos M. Diaz, Luis Basurto, Koblar A. Jackson, Tunna Baruah, Rajendra Zope.
Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional The Journal of Chemical Physics 151 15 (2019), Yoh Yamamoto, Carlos M. Diaz, Luis Basurto, Koblar A. Jackson, Tunna Baruah, Rajendra Zope.
Stretched or noded orbital densities and self-interaction correction in density functional theory. The Journal of chemical physics 150 17 (2019), C Shahi, P Bhattarai, K Wagle, B Santra, S Schwalbe, T Hahn, J Kortus, K A. Jackson, J E. Peralta, K Trepte, S Lehtola, N K. Nepal, H Myneni, B Neupane, S Adhikari, A Ruzsinszky, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, J P. Perdew.
Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction. Journal of computational chemistry 40 6 (2019), K Trepte, S Schwalbe, T Hahn, J Kortus, D Y. Kao, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, Withanage KPK, J E. Peralta, K A. Jackson.
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction JOURNAL OF CHEMICAL PHYSICS 151 21 (2019), Rajendra Zope, Yoh Yamamoto, Carlos M. Diaz, Tunna Baruah, Juan E. Peralta, Koblar A. Jackson, Biswajit Santra, John P. Perdew.
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction JOURNAL OF CHEMICAL PHYSICS 151 21 (2019), Rajendra Zope, Yoh Yamamoto, Carlos M. Diaz, Tunna Baruah, Juan E. Peralta, Koblar A. Jackson, Biswajit Santra, John P. Perdew.
Analytic atomic gradients in the fermi-lowdin orbital self-interaction correction JOURNAL OF COMPUTATIONAL CHEMISTRY 40 6 (2019), Kai Trepte, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Der-You Kao, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, Withanage, Kushantha P. K., Juan E. Peralta, Koblar A. Jackson.
Analytic atomic gradients in the fermi-lowdin orbital self-interaction correction JOURNAL OF COMPUTATIONAL CHEMISTRY 40 6 (2019), Kai Trepte, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Der-You Kao, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, Withanage, Kushantha P. K., Juan E. Peralta, Koblar A. Jackson.
Antiferromagnetism and the emergence of frustration in the sawtooth lattice chalcogenide olivines Mn2SiS4- xSex (x= 0--4) Physical Review B 99 18 (2019), Hariharan Nhalil, Raju Baral, Bethuel O. Khamala, Adrian Cosio, Srinivasa R. Singamaneni, Magdalena Fitta, Daniel Antonio, Krzysztof Gofryk, Rajendra Zope, Tunna Baruah, Bayram Saparov, Harikrishnan S. Nair.
Evolution of the spin-flop antiferromagnetic transition and the emergence of frustration in saw-tooth lattice Mn2SiS4-xSex (x = 0 - 4) chalcogenides Bulletin of the American Physical Society (2019), Hariharan Nhalil, Raju Baral, Bethuel O. Khamala, Adrian Cosio, Srinivasa R. Singamaneni, Magdalena Fitta, Daniel Antonio, Krzysztof Gofryk, Rajendra Zope, Tunna Baruah, Bayram Saparov, Harikrishnan S. Nair.
Fermi-Lowdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional JOURNAL OF CHEMICAL PHYSICS 151 15 (2019), Yoh Yamamoto, Carlos M. Diaz, Luis Basurto, Koblar A. Jackson, Tunna Baruah, Rajendra Zope.
Fermi-Lowdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functional JOURNAL OF CHEMICAL PHYSICS 151 15 (2019), Yoh Yamamoto, Carlos M. Diaz, Luis Basurto, Koblar A. Jackson, Tunna Baruah, Rajendra Zope.
Fermi-Löwdin orbital self-interaction correction using the strongly constrained and appropriately normed meta-GGA functiona J. Chem. Phys. 151, 154105 (2019) (2019), Rajendra Zope, Tunna Baruah.
Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Lowdin self-interaction correction PHYSICAL REVIEW A 100 1 (2019), Withanage, Kushantha P. K., Sharmin Akter, Chandra Shahi, Rajendra P. Joshi, Carlos Diaz, Yoh Yamamoto, Rajendra Zope, Tunna Baruah, John P. Perdew, Juan E. Peralta, Koblar A. Jackson.
Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Lowdin self-interaction correction PHYSICAL REVIEW A 100 1 (2019), Withanage, Kushantha P. K., Sharmin Akter, Chandra Shahi, Rajendra P. Joshi, Carlos Diaz, Yoh Yamamoto, Rajendra Zope, Tunna Baruah, John P. Perdew, Juan E. Peralta, Koblar A. Jackson.
Stretched or noded orbital densities and self-interaction correction in density functional theory JOURNAL OF CHEMICAL PHYSICS 150 17 (2019), Chandra Shahi, Puskar Bhattarai, Kamal Wagle, Biswajit Santra, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Koblar A. Jackson, Juan E. Peralta, Kai Trepte, Susi Lehtola, Niraj K. Nepal, Hemanadhan Myneni, Bimal Neupane, Santosh Adhikari, Adrienn Ruzsinszky, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, John P. Perdew.
Stretched or noded orbital densities and self-interaction correction in density functional theory JOURNAL OF CHEMICAL PHYSICS 150 17 (2019), Chandra Shahi, Puskar Bhattarai, Kamal Wagle, Biswajit Santra, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Koblar A. Jackson, Juan E. Peralta, Kai Trepte, Susi Lehtola, Niraj K. Nepal, Hemanadhan Myneni, Bimal Neupane, Santosh Adhikari, Adrienn Ruzsinszky, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, John P. Perdew.
Stretched or noded orbital densities and self-interaction correction in density functional theory JOURNAL OF CHEMICAL PHYSICS 150 17 (2019), Chandra Shahi, Puskar Bhattarai, Kamal Wagle, Biswajit Santra, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Koblar A. Jackson, Juan E. Peralta, Kai Trepte, Susi Lehtola, Niraj K. Nepal, Hemanadhan Myneni, Bimal Neupane, Santosh Adhikari, Adrienn Ruzsinszky, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, John P. Perdew.
Stretched or noded orbital densities and self-interaction correction in density functional theory JOURNAL OF CHEMICAL PHYSICS 150 17 (2019), Chandra Shahi, Puskar Bhattarai, Kamal Wagle, Biswajit Santra, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Koblar A. Jackson, Juan E. Peralta, Kai Trepte, Susi Lehtola, Niraj K. Nepal, Hemanadhan Myneni, Bimal Neupane, Santosh Adhikari, Adrienn Ruzsinszky, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, John P. Perdew.
The effect of self-interaction error on electrostatic dipoles calculated using density functional theory JOURNAL OF CHEMICAL PHYSICS 151 17 (2019), Alexander I. Johnson, Withanage, Kushantha P. K., Kamal Sharkas, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, Juan E. Peralta, Koblar A. Jackson.
The effect of self-interaction error on electrostatic dipoles calculated using density functional theory JOURNAL OF CHEMICAL PHYSICS 151 17 (2019), Alexander I. Johnson, Withanage, Kushantha P. K., Kamal Sharkas, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, Juan E. Peralta, Koblar A. Jackson.
The effect of self-interaction error on electrostatic dipoles calculated using density functional theory JOURNAL OF CHEMICAL PHYSICS 151 17 (2019), Alexander I. Johnson, Withanage, Kushantha P. K., Kamal Sharkas, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, Juan E. Peralta, Koblar A. Jackson.
The effect of self-interaction error on electrostatic dipoles calculated using density functional theory JOURNAL OF CHEMICAL PHYSICS 151 17 (2019), Alexander I. Johnson, Withanage, Kushantha P. K., Kamal Sharkas, Yoh Yamamoto, Tunna Baruah, Rajendra Zope, Juan E. Peralta, Koblar A. Jackson.

Presentations

Spin-state energy differences of octahedral Fe(II) complexes using self-interaction-corrected methods.* (2024), Selim Romero, Tunna Baruah, Rajendra Zope, Rajendra Zope.
Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants* (2024), Prakash , Tunna Baruah, Rajendra Zope.
Rare-Earths, Critical Materials, and Hexagonal Motifs: Methods and Applications to Energy Systems (2023), Volume University of California, Merced, Tunna Baruah, Zahra Hooshmand Gharehbagh, M F. Islam, Todd Lombardi, K Withanage, Yoh Yamamoto, Eunja Kim, Mark R. Pederson.
Rare-Earths, Critical Materials, and Hexagonal Motifs: Methods and Applications to Energy Systems (2023), Volume UTEP, Tunna Baruah, Zahra Hooshmand Gharehbagh, M F. Islam, Todd Lombardi, K Withanage, Yoh Yamamoto, Eunja Kim, Mark R. Pederson.
Magnetic properties of CrX3 in excited states (2023), Volume MRS Spring Meeting 2023, San Francisco, Srinivasa Rao Singamaneni, Prakash Mishra, Tunna Baruah, Rajendra Zope, Cedomir Petrovic.
Evolution of the magnetic properties via pressure in ternary transition metal chalcogenides (2023), Volume MRS Spring Meeting 2023, San Francisco, Srinivasa Rao Singamaneni, Rubyann Olmos, Po-Hao Chang, Prakash Mishra, Tunna Baruah, Rajendra Zope, Cedomir Petrovic.
Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants (2023), Volume Las Vegas, Prakash Mishra, Yoh Yamamoto, Po-Hao Chang, , Tunna Baruah, Rajendra Zope.
A DFT analysis of a covalent organic donor-acceptor-radical molecule used for quantum teleportation (2023), Pedro M. Gonzalez, Rajendra Zope, Mark R. Pederson, Tunna Baruah.
Efficient ways to do FLOSIC calculations using SOSIC method (2022), Volume Central michigan University, Selim Romero, Yoh Yamamoto, Tunna Baruah, Rajendra Zope.
Self-consistent implementation of locally scaled self-interaction-correction method (2022), Volume Central Michigan University, Yoh Yamamoto, Po-Hao Chang, Selim Romero, Tunna Baruah, Rajendra Zope.
Self-interaction correction to magnetic exchange couplings (2022), Volume Virtual, Prakash Mishra, Rajendra Zope, Tunna Baruah, .
Study of Magnetic Exchange Coupling Constants using Locally Scaled and Perdew-Zunger Self-interaction Correction Methods (2022), Volume Central Michigan University, Prakash Mishra, Rajendra Zope, Tunna Baruah.
Multiplicative Hamiltonian within Fermi-Loewdin orbital self-interaction correction method (2022), Volume Central Michigan University, Tunna Baruah.
Self-interaction correction for chemical reactions (2022), Volume Virtual, Tunna Baruah, Prakash Mishra, Rajendra Zope, .
Mean-field Hamiltonian within Fermi-Lowdin orbital self-interaction correction method (2022), Volume San Diego, Tunna Baruah.
Self-Interaction Correction for Improved Description of Molecular Properties (2021), Yoh Yamamoto, Rajendra Zope, Tunna Baruah.
Barrier Heights of BH76 Database with PZ-SIC and Locally-scaled Self Interaction Correction Methods (2021), Prakash Mishra, Yoh Yamamoto, Koblar Jackson, Tunna Baruah, Rajendra Zope.
Improving density functional calculations of molecular polarizabilities using locally scaled self-interaction corrections (2021), Kamal Sharkas, Sh Akter, Jorge Vargas, Juan Peralta, Koblar Jackson, Tunna Baruah, Rajendra Zope.
Local scaled self-interaction-correction method using Fermi-Löwdin orbitals and a simple scaling factor (2021), Semil Romero, Yoh Yamamoto, Tunna Baruah, Rajendra Zope.
Self-consistency in the Fermi-Löwdin orbital self-interaction correction method using the Krieger-Li-Iafrate approximation (2021), Carlos Diaz, Tunna Baruah, Rajendra Zope.
Study of weakly bound cluster anions using locally scaled and Perdew-Zunger self-interaction-correction methods (2021), Peter Ufondu, Jorge Vargas, Yoh Yamamoto, Tunna Baruah, Rajendra Zope.
Digitalization of higher education : Challenges (2020), Volume Online, Tunna Baruah.
Challenges to online education (2020), Volume Online, Tunna Baruah.
Polarizabilities and electron binding energies of water cluster with FLOSIC and locally scaled SIC methods (2020), Volume Online, Tunna Baruah.
Study of Water Cluster Anions Using the Self-Interaction Corrected Density Functional Approximations (2020), Jorge Vargas, Peter Ufondu, Tunna Baruah, Yoh Yamamoto, Koblar A. Jackson, Rajendra Zope.
Assisting the Performance of Self-Interaction-Corrected SCAN Meta-GGA Functional Using an Orbital Scaling Approach (2020), Yoh Yamamoto, Tunna Baruah, Rajendra Zope.
Assessment of SCAN and regularized SCAN functional with and without self-interaction correction (2020), Rajendra Zope, Tunna Baruah.
Assisting the performance of self-interaction-corrected SCAN meta-GGA functional using an orbital scaling approach (2020), Rajendra Zope, Tunna Baruah.
Fermi-Lowdin orbital self-interaction correction on magnetic properties of Cu (II)-acetate monohydrate (2020), Rajendra Zope, Tunna Baruah.
Fermi-Löwdin orbital self-interaction corrections applied to water clusters: Polarizabilities, dipole moments, and ionization energies (2020), Rajendra Zope, Tunna Baruah.
Perdew-Zunger Self-Interaction Correction in Neutral, Protonated, and Deprotonated Water Clusters (2020), Rajendra Zope, Tunna Baruah.
Self-consistent implementation of locally scaled self-interaction-correction method* (2020), Rajendra Zope, Tunna Baruah, Yoh Yamamoto, .
Self-Interaction correction using Fermi-Lowdin orbitals: Methodology and Parallelization, (2020), Rajendra Zope, Tunna Baruah, Luis Basurto.
Study of water cluster anions using the self-interaction corrected density functional approximations (2020), Rajendra Zope, Tunna Baruah.
The effect of removal of self-interaction error on the magnetic exchange couplings (2020), Rajendra Zope, Tunna Baruah.
Self-interaction-corrected electronic structure of Fe-based single-ion magnetic molecule (2020), Rajendra Zope, Tunna Baruah.
Self-interaction correction and dielectric properties of molecules, (2020), Rajendra Zope, Tunna Baruah.
Self-interaction correction and dielectric properties of molecules, (2020), Rajendra Zope, Tunna Baruah.
Self-interaction correction for magnetic molecules (2020), Volume St. Simons Island, Tunna Baruah.
Single Hamiltonian for self-interaction corrected DFT with Fermi-Lowdin orbitals (2020), Volume Denver, canceled due to the pandemic, Tunna Baruah, Mark R. Pederson.
Magnetic frustration and antiferromagnetism in saw-tooth lattice Mn2SiS4−xSex (x = 0-4) chalcogenides (2019), Volume Phoenix, H Nhalil, R Baral, A Cosio, B O. Khamala, S Singamaneni, M Fitta, Rajendra Zope, Tunna Baruah, D Antonio, K Gofryk, B Saparov, Harikrishnan Nair.
Olivine Mn2SiS4-xSex: Magnetic frustration and spin-flop transition in triangular sawtooth lattice (2019), Volume Phoenix AZ, Hariharan Nhalil, Raju Baral, Adrian Cosio, Bethuel O. Khamala, Srinivasa Singamaneni, M Fitta, Rajendra Zope, Tunna Baruah, D Antonio, K Gofryk, B Saparov, Harikrishnan Nair.
Evolution of the spin-flop antiferromagnetic transition and the emergence of frustration in saw-tooth lattice Mn2SiS4−xSex (x = 0-4) chalcogenides (2019), Volume Boston, H Nhalil, Raju Baral, A Cosio, B O. Khamala, S Singamaneni, M Fitta, Rajendra Zope, Tunna Baruah, D Antonio, K Gofryk, B Saparov, Harikrishnan Nair.
Evolution of the spin-flop antiferromagnetic transition and the emergence of frustration in saw-tooth lattice Mn2SiS4-xSex (x = 0 - 4) chalcogenides (2019), Volume Boston, Hariharan Nhalil, Raju Baral, Adrian Cosio, Bethuel O. Khamala, Srinivasa Rao Singamaneni, Magdalena Fitta, Rajendra Zope, Tunna Baruah, Krzysztof Gofryk, Bayrammurad Saparov, Harikrishnan Nair.

Grants

Transferring exascale computational chemistry to cloud computing environment and emerging hardware technologies (TEC4)

Current/Future Courses

Term	Course	Section	Syllabus
Spring 2025	PHYS 3352 - Analytical Mechanics II	21282
Spring 2025	CPS 6399 - Dissertation	26840
Fall 2024	PHYS 3351 - Analytical Mechanics I	10316	Syllabus
Fall 2024	CPS 6399 - Dissertation	13589
Fall 2024	PHYS 6296 - Doctoral research	17883
Fall 2024	PHYS 5396 - Graduate Research in Physics	17887
Fall 2024	PHYS 6393 - Special Topic	17404	Syllabus
Fall 2024	PHYS 5393 - Special Topics in Physics	17403	Syllabus

Past Courses

Select Term:

Term	Course	Section	Syllabus
Spring 2025	PHYS 3352 - Analytical Mechanics II	21282
Spring 2024	PHYS 3352 - Analytical Mechanics II	21423
Spring 2024	CPS 6399 - Dissertation	23123
Fall 2023	PHYS 3351 - Analytical Mechanics I	10422	Syllabus
Fall 2023	CPS 6399 - Dissertation	14323
Fall 2023	PHYS 5393 - Special Topics in Physics	17593	Syllabus
Summer 2023	PHYS 5399 - Thesis	33406
Spring 2023	PHYS 3352 - Analytical Mechanics II	21552	Syllabus
Spring 2023	CPS 6399 - Dissertation	23456
Spring 2023	PHYS 5393 - Special Topics in Physics	27669
Spring 2023	PHYS 2230 - Thermal and Fluid Physics	20543	Syllabus
Spring 2023	PHYS 5399 - Thesis	23790
Fall 2022	PHYS 3351 - Analytical Mechanics I	10985	Syllabus
Fall 2022	CPS 6398 - Dissertation	18498
Fall 2022	CPS 6399 - Dissertation	18532
Fall 2022	CPS 6397 - Doctoral Project	20053
Fall 2022	CPS 6396 - Graduate Research	12654
Fall 2022	PHYS 5396 - Graduate Research in Physics	16084
Fall 2022	PHYS 5399 - Thesis	16147
Spring 2022	PHYS 3352 - Analytical Mechanics II	21980	Syllabus
Spring 2022	CPS 6399 - Dissertation	24966
Spring 2022	CPS 6397 - Doctoral Project	21881
Spring 2022	CPS 6396 - Graduate Research	25031
Spring 2022	PHYS 5396 - Graduate Research in Physics	23503
Spring 2022	PHYS 3331 - Thermal Physics	22129	Syllabus
Spring 2022	PHYS 5398 - Thesis	24944
Fall 2021	PHYS 3351 - Analytical Mechanics I	10983	Syllabus
Fall 2021	CPS 6399 - Dissertation	12604
Fall 2021	PHYS 5396 - Graduate Research in Physics	16098
Fall 2021	CPS 5399 - Graduate Thesis	12389
Spring 2021	PHYS 3352 - Analytical Mechanics II	22170	Syllabus
Spring 2021	CPS 6399 - Dissertation	29246
Spring 2021	CPS 6397 - Doctoral Project	27563
Spring 2021	CPS 5399 - Graduate Thesis	28183
Spring 2021	PHYS 5393 - Special Topics in Physics	26600
Fall 2020	PHYS 3351 - Analytical Mechanics I	11030	Syllabus
Fall 2020	CPS 6398 - Dissertation	19579
Fall 2020	CPS 5397 - Graduate Research	17898
Fall 2020	CPS 6396 - Graduate Research	12845
Fall 2020	CPS 5398 - Graduate Thesis	19602
Summer 2020	PHYS 5399 - Thesis	33578
Spring 2020	PHYS 3352 - Analytical Mechanics II	22480	Syllabus
Spring 2020	CPS 6397 - Doctoral Project	29327
Spring 2020	CPS 6396 - Graduate Research	29320
Spring 2020	PHYS 5396 - Graduate Research in Physics	24349
Spring 2020	PHYS 5399 - Thesis	25626
Fall 2019	PHYS 3351 - Analytical Mechanics I	11097	Syllabus
Fall 2019	CPS 5396 - Graduate Interdisciplinary Res	12225
Fall 2019	CPS 5397 - Graduate Research	19187
Fall 2019	PHYS 5396 - Graduate Research in Physics	16843
Fall 2019	PHYS 5398 - Thesis	15461
Summer 2019	PHYS 5398 - Thesis	31014
Summer 2019	PHYS 5399 - Thesis	33905
Spring 2019	PHYS 3352 - Analytical Mechanics II	22636	Syllabus
Spring 2019	PHYS 1404 - General Physics II	20958
Spring 2019	CPS 5396 - Graduate Interdisciplinary Res	22672
Spring 2019	PHYS 5396 - Graduate Research in Physics	24693
Spring 2019	PHYS 5393 - Special Topics in Physics	29156
Spring 2019	PHYS 5398 - Thesis	26646
Fall 2018	PHYS 3351 - Analytical Mechanics I	11178	Syllabus
Fall 2018	PHYS 1403 - General Physics I	12964
Fall 2018	PHYS 1403 - General Physics I	12965	Syllabus
Fall 2018	CPS 5396 - Graduate Interdisciplinary Res	12388
Fall 2018	PHYS 5396 - Graduate Research in Physics	17745
Fall 2018	PHYS 5195 - Graduate Seminar	12763
Spring 2018	PHYS 3351 - Analytical Mechanics I	29264	Syllabus
Spring 2018	PHYS 3352 - Analytical Mechanics II	22826	Syllabus
Spring 2018	PHYS 1404 - General Physics II (C)	21004
Spring 2018	CPS 5397 - Graduate Research	23515
Spring 2018	PHYS 2421 - Introductory Electromagnetism	21040
Spring 2018	PHYS 2420 - Introductory Mechanics	21027
Spring 2018	PHYS 2420 - Introductory Mechanics	21028
Spring 2018	PHYS 2420 - Introductory Mechanics	21029
Fall 2017	PHYS 3360 - Comput. Methods for Phys Prob	19209	Syllabus
Fall 2017	PHYS 1403 - General Physics I (C)	13122
Fall 2017	PHYS 1403 - General Physics I (C)	13123
Fall 2017	CPS 6396 - Graduate Research	12691
Fall 2017	PHYS 5396 - Graduate Research in Physics	19532
Fall 2017	PHYS 5696 - Graduate Research in Physics	12278
Fall 2017	PHYS 5195 - Graduate Seminar	12887
Fall 2017	CPS 5399 - Graduate Thesis	13086
Fall 2017	PHYS 5321 - Mechanics	11231	Syllabus
Fall 2017	PHYS 5399 - Thesis	19527
Summer 2017	CPS 5399 - Graduate Thesis	31274
Summer 2017	PHYS 5399 - Thesis	34892
Spring 2017	PHYS 3352 - Analytical Mechanics II	22946	Syllabus
Spring 2017	PHYS 1404 - General Physics II (C)	21030
Spring 2017	PHYS 5396 - Graduate Research in Physics	25495
Spring 2017	CPS 5399 - Graduate Thesis	23822
Spring 2017	PHYS 2421 - Introductory Electromagnetism	21066
Spring 2017	PHYS 2420 - Introductory Mechanics	21053
Spring 2017	PHYS 2420 - Introductory Mechanics	21054
Spring 2017	PHYS 2420 - Introductory Mechanics	21055
Spring 2017	PHYS 5398 - Thesis	28954
Spring 2017	RSRC 4033 - Undergraduate Research	25563

Course Evaluations

Term	Course	Section	Evaluation
Spring 2024	PHYS 3352 - Analytical Mechanics II	21423	Evaluation
Fall 2023	PHYS 3351 - Analytical Mechanics I	10422	Evaluation
Fall 2023	PHYS 5393 - Special Topics in Physics	17593	Evaluation
Spring 2023	PHYS 3352 - Analytical Mechanics II	21552	Evaluation
Spring 2023	PHYS 5393 - Special Topics in Physics	27669	Evaluation
Spring 2023	PHYS 2230 - Thermal and Fluid Physics	20543	Evaluation
Fall 2022	PHYS 3351 - Analytical Mechanics I	10985	Evaluation
Spring 2022	PHYS 3331 - Thermal Physics	22129	Evaluation
Fall 2021	PHYS 3351 - Analytical Mechanics I	10983	Evaluation
Spring 2021	PHYS 3352 - Analytical Mechanics II	22170	Evaluation
Spring 2021	PHYS 5393 - Special Topics in Physics	26600	Evaluation
Fall 2020	PHYS 3351 - Analytical Mechanics I	11030	Evaluation
Spring 2020	PHYS 3352 - Analytical Mechanics II	22480	Evaluation
Fall 2019	PHYS 3351 - Analytical Mechanics I	11097	Evaluation
Spring 2019	PHYS 3352 - Analytical Mechanics II	22636	Evaluation
Spring 2019	PHYS 1404 - General Physics II	20958	Evaluation

Bio

No info available.

Awards and Honors

Miguel Izquierdo Teaching Excellence Award (09/01/2019-09/30/2019)
ONR Summer Faculty Award - Office of Naval Research (06/01/2006-06/30/2006)
Graduate Aptitude Test in Engineering. (01/01/1992-12/31/1992)
Research fellowship award for PhD (1995-2000) - National Eligibility Test for Teaching and Research held by Council of Scientific and Industrial Research (01/01/1992-12/31/1992)
National Merti Scholarship, India (06/01/1985-06/30/1985)
Member of American Physical Society and American Chemical Society.

Ph D in Condensed Matter Physics/Solid State Physics, University of Pune (2000)

Publications

How well do one-electron self-interaction-correction methods perform for systems with fractional electrons? Journal of Chemical Physics (2024), Rajendra Zope, Yoh Yamamoto, Tunna Baruah.
Use of FLOSIC for understanding anion-solvent interactions. The Journal of chemical physics 159 15 (2023), Mark R. Pederson, Withanage KPK, Z Hooshmand, A I. Johnson, Tunna Baruah, Yoh Yamamoto, Rajendra Zope, D Y. Kao, P B. Shukla, J K. Johnson, J E. Peralta, K A. Jackson.
Use of FLOSIC for understanding anion-solvent interactions Journal of Chemical Physics 159 (2023), Mark R. Pederson, Kushanta Withanage, Zahra Hooshmand, Alexander Johnson, , Tunna Baruah, Yoh Yamamoto, Rajendra Zope, Der-you Kao, Priyanka Shukla, J. K. Johnson, Juan Peralta, Koblar Jackson.
Pressure-Dependent Magnetic Properties of Quasi-2D Cr2Si2Te6 and Mn3Si2Te6 The Journal of Physical Chemistry C 127 21 (2023), Rubyann Olmos, Po-Hao Chang, Prakash Mishra, Rajendra Zope, Tunna Baruah, Yu Liu, , Srinivasa R. Singamaneni.
Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods The Journal of Chemical Physics 158 16 (2023), Peter Ufondu, Po-Hao Chang, Tunna Baruah, Rajendra Zope.

Presentations

Spin-state energy differences of octahedral Fe(II) complexes using self-interaction-corrected methods.* (2024), Selim Romero, Tunna Baruah, Rajendra Zope, Rajendra Zope.
Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants* (2024), Prakash , Tunna Baruah, Rajendra Zope.
Rare-Earths, Critical Materials, and Hexagonal Motifs: Methods and Applications to Energy Systems (2023), Volume University of California, Merced, Tunna Baruah, Zahra Hooshmand Gharehbagh, M F. Islam, Todd Lombardi, K Withanage, Yoh Yamamoto, Eunja Kim, Mark R. Pederson.
Rare-Earths, Critical Materials, and Hexagonal Motifs: Methods and Applications to Energy Systems (2023), Volume UTEP, Tunna Baruah, Zahra Hooshmand Gharehbagh, M F. Islam, Todd Lombardi, K Withanage, Yoh Yamamoto, Eunja Kim, Mark R. Pederson.
Magnetic properties of CrX3 in excited states (2023), Volume MRS Spring Meeting 2023, San Francisco, Srinivasa Rao Singamaneni, Prakash Mishra, Tunna Baruah, Rajendra Zope, Cedomir Petrovic.

Transferring exascale computational chemistry to cloud computing environment and emerging hardware technologies (TEC4)

Current/Future Courses

Term

Spring 2025

Course

PHYS 3352 - Analytical Mechanics II

Section

21282

Syllabus

Term

Spring 2025

Course

CPS 6399 - Dissertation

Section

26840

Syllabus

Term

Fall 2024

Course

PHYS 3351 - Analytical Mechanics I

Section

10316

Syllabus

Term

Fall 2024

Course

CPS 6399 - Dissertation

Section

13589

Syllabus

Term

Fall 2024

Course

PHYS 6296 - Doctoral research

Section

17883

Syllabus

Term

Fall 2024

Course

PHYS 5396 - Graduate Research in Physics

Section

17887

Syllabus

Term

Fall 2024

Course

PHYS 6393 - Special Topic

Section

17404

Syllabus

Term

Fall 2024

Course

PHYS 5393 - Special Topics in Physics

Section

17403

Syllabus

Past Courses

Select Term:

Term

Spring 2025

Course

PHYS 3352 - Analytical Mechanics II

Section

21282

Syllabus

Term

Spring 2024

Course

PHYS 3352 - Analytical Mechanics II

Section

21423

Syllabus

Term

Spring 2024

Course

CPS 6399 - Dissertation

Section

23123

Syllabus

Term

Fall 2023

Course

PHYS 3351 - Analytical Mechanics I

Section

10422

Syllabus

Term

Fall 2023

Course

CPS 6399 - Dissertation

Section

14323

Syllabus

Term

Fall 2023

Course

PHYS 5393 - Special Topics in Physics

Section

17593

Syllabus

Term

Summer 2023

Course

PHYS 5399 - Thesis

Section

33406

Syllabus

Term

Spring 2023

Course

PHYS 3352 - Analytical Mechanics II

Section

21552

Syllabus

Term

Spring 2023

Course

CPS 6399 - Dissertation

Section

23456

Syllabus

Term

Spring 2023

Course

PHYS 5393 - Special Topics in Physics

Section

27669

Syllabus

Term

Spring 2023

Course

PHYS 2230 - Thermal and Fluid Physics

Section

20543

Syllabus

Term

Spring 2023

Course

PHYS 5399 - Thesis

Section

23790

Syllabus

Term

Fall 2022

Course

PHYS 3351 - Analytical Mechanics I

Section

10985

Syllabus

Term

Fall 2022

Course

CPS 6398 - Dissertation

Section

18498

Syllabus

Term

Fall 2022

Course

CPS 6399 - Dissertation

Section

18532

Syllabus

Term

Fall 2022

Course

CPS 6397 - Doctoral Project

Section

20053

Syllabus

Term

Fall 2022

Course

CPS 6396 - Graduate Research

Section

12654

Syllabus

Term

Fall 2022

Course

PHYS 5396 - Graduate Research in Physics

Section

16084

Syllabus

Term

Fall 2022

Course

PHYS 5399 - Thesis

Section

16147

Syllabus

Term

Spring 2022

Course

PHYS 3352 - Analytical Mechanics II

Section

21980

Syllabus

Term

Spring 2022

Course

CPS 6399 - Dissertation

Section

24966

Syllabus

Term

Spring 2022

Course

CPS 6397 - Doctoral Project

Section

21881

Syllabus

Term

Spring 2022

Course

CPS 6396 - Graduate Research

Section

25031

Syllabus

Term

Spring 2022

Course

PHYS 5396 - Graduate Research in Physics

Section

23503

Syllabus

Term

Spring 2022

Course

PHYS 3331 - Thermal Physics

Section

22129

Syllabus

Term

Spring 2022

Course

PHYS 5398 - Thesis

Section

24944

Syllabus

Term

Fall 2021

Course

PHYS 3351 - Analytical Mechanics I

Section

10983

Syllabus

Term

Fall 2021

Course

CPS 6399 - Dissertation

Section

12604

Syllabus

Term

Fall 2021

Course

PHYS 5396 - Graduate Research in Physics

Section

16098

Syllabus

Term

Fall 2021

Course

CPS 5399 - Graduate Thesis

Section

12389

Syllabus

Term

Spring 2021

Course

PHYS 3352 - Analytical Mechanics II

Section

22170

Syllabus

Term

Spring 2021

Course

CPS 6399 - Dissertation

Section

29246

Syllabus

Term

Spring 2021

Course

CPS 6397 - Doctoral Project

Section

27563

Syllabus

Term

Spring 2021

Course

CPS 5399 - Graduate Thesis

Section

28183

Syllabus

Term

Spring 2021

Course

PHYS 5393 - Special Topics in Physics

Section

26600

Syllabus

Term

Fall 2020

Course

PHYS 3351 - Analytical Mechanics I

Section

11030

Syllabus

Term

Fall 2020

Course

CPS 6398 - Dissertation

Section

19579

Syllabus

Term

Fall 2020

Course

CPS 5397 - Graduate Research

Section

17898

Syllabus

Term

Fall 2020

Course

CPS 6396 - Graduate Research

Section

12845

Syllabus

Term

Fall 2020

Course

CPS 5398 - Graduate Thesis

Section

19602

Syllabus

Term

Summer 2020

Course

PHYS 5399 - Thesis

Section

33578

Syllabus

Term

Spring 2020

Course

PHYS 3352 - Analytical Mechanics II

Section

22480

Syllabus

Term

Spring 2020

Course

CPS 6397 - Doctoral Project

Section

29327

Syllabus

Term

Spring 2020

Course

CPS 6396 - Graduate Research

Section

29320

Syllabus

Term

Spring 2020

Course

PHYS 5396 - Graduate Research in Physics

Section

24349

Syllabus

Term

Spring 2020

Course

PHYS 5399 - Thesis

Section

25626

Syllabus

Term

Fall 2019

Course

PHYS 3351 - Analytical Mechanics I

Section

11097

Syllabus

Term

Fall 2019

Course

CPS 5396 - Graduate Interdisciplinary Res

Section

12225

Syllabus

Term

Fall 2019

Course

CPS 5397 - Graduate Research

Section

19187

Syllabus

Term

Fall 2019

Course

PHYS 5396 - Graduate Research in Physics

Section

16843

Syllabus

Term

Fall 2019

Course

PHYS 5398 - Thesis

Section

15461

Syllabus

Term

Summer 2019

Course

PHYS 5398 - Thesis

Section

31014

Syllabus

Term

Summer 2019

Course

PHYS 5399 - Thesis

Section

33905

Syllabus

Term

Spring 2019

Course

PHYS 3352 - Analytical Mechanics II

Section

22636

Syllabus

Term

Spring 2019

Course

PHYS 1404 - General Physics II

Section

20958

Syllabus

Term

Spring 2019

Course

CPS 5396 - Graduate Interdisciplinary Res

Section

22672

Syllabus

Term

Spring 2019

Course

PHYS 5396 - Graduate Research in Physics

Section

24693

Syllabus

Term

Spring 2019

Course

PHYS 5393 - Special Topics in Physics

Section

29156

Syllabus

Term

Spring 2019

Course

PHYS 5398 - Thesis

Section

26646

Syllabus

Term

Fall 2018

Course

PHYS 3351 - Analytical Mechanics I

Section

11178

Syllabus

Term

Fall 2018

Course

PHYS 1403 - General Physics I

Section

12964

Syllabus

Term

Fall 2018

Course

PHYS 1403 - General Physics I

Section

12965

Syllabus

Term

Fall 2018

Course

CPS 5396 - Graduate Interdisciplinary Res

Section

12388

Syllabus

Term

Fall 2018

Course

PHYS 5396 - Graduate Research in Physics

Section

17745

Syllabus

Term

Fall 2018

Course

PHYS 5195 - Graduate Seminar

Section

12763

Syllabus

Term

Spring 2018

Course

PHYS 3351 - Analytical Mechanics I

Section

29264

Syllabus

Term

Spring 2018

Course

PHYS 3352 - Analytical Mechanics II

Section

22826

Syllabus

Term

Spring 2018

Course

PHYS 1404 - General Physics II (C)

Section

21004

Syllabus

Term

Spring 2018

Course

CPS 5397 - Graduate Research

Section

23515

Syllabus

Term

Spring 2018

Course

PHYS 2421 - Introductory Electromagnetism

Section

21040

Syllabus

Term

Spring 2018

Course

PHYS 2420 - Introductory Mechanics

Section

21027

Syllabus

Term

Spring 2018

Course

PHYS 2420 - Introductory Mechanics

Section

21028

Syllabus

Term

Spring 2018

Course

PHYS 2420 - Introductory Mechanics

Section

21029

Syllabus

Term

Fall 2017

Course

PHYS 3360 - Comput. Methods for Phys Prob

Section

19209

Syllabus

Term

Fall 2017

Course

PHYS 1403 - General Physics I (C)

Section

13122

Syllabus

Term

Fall 2017

Course

PHYS 1403 - General Physics I (C)

Section

13123

Syllabus

Term

Fall 2017

Course

CPS 6396 - Graduate Research

Section

12691

Syllabus

Term

Fall 2017

Course

PHYS 5396 - Graduate Research in Physics

Section

19532

Syllabus

Term

Fall 2017

Course

PHYS 5696 - Graduate Research in Physics

Section

12278

Syllabus

Term

Fall 2017

Course

PHYS 5195 - Graduate Seminar

Section

12887

Syllabus

Term

Fall 2017

Course

CPS 5399 - Graduate Thesis

Section

13086

Syllabus

Term

Fall 2017

Course

PHYS 5321 - Mechanics

Section

11231

Syllabus

Term

Fall 2017

Course

PHYS 5399 - Thesis

Section

19527

Syllabus

Term

Summer 2017

Course

CPS 5399 - Graduate Thesis

Section

31274

Syllabus

Term

Summer 2017

Course

PHYS 5399 - Thesis

Section

34892

Syllabus

Term

Spring 2017

Course

PHYS 3352 - Analytical Mechanics II

Section

22946

Syllabus

Term

Spring 2017

Course

PHYS 1404 - General Physics II (C)

Section

21030

Syllabus

Term

Spring 2017

Course

PHYS 5396 - Graduate Research in Physics

Section

25495

Syllabus

Term

Spring 2017

Course

CPS 5399 - Graduate Thesis

Section

23822

Syllabus

Term

Spring 2017

Course

PHYS 2421 - Introductory Electromagnetism

Section

21066

Syllabus

Term

Spring 2017

Course

PHYS 2420 - Introductory Mechanics

Section

21053

Syllabus

Term

Spring 2017

Course

PHYS 2420 - Introductory Mechanics

Section

21054

Syllabus

Term

Spring 2017

Course

PHYS 2420 - Introductory Mechanics

Section

21055

Syllabus

Term

Spring 2017

Course

PHYS 5398 - Thesis

Section

28954

Syllabus

Term

Spring 2017

Course

RSRC 4033 - Undergraduate Research

Section

25563

Syllabus

Term

Spring 2024

Course

PHYS 3352 - Analytical Mechanics II

Section

21423

Evaluation

Term

Fall 2023

Course

PHYS 3351 - Analytical Mechanics I

Section

10422

Evaluation

Term

Fall 2023

Course

PHYS 5393 - Special Topics in Physics

Section

17593

Evaluation

Term

Spring 2023

Course

PHYS 3352 - Analytical Mechanics II

Section

21552

Evaluation

Term

Spring 2023

Course

PHYS 5393 - Special Topics in Physics

Section

27669

Evaluation

Term

Spring 2023

Course

PHYS 2230 - Thermal and Fluid Physics

Section

20543

Evaluation

Term

Fall 2022

Course

PHYS 3351 - Analytical Mechanics I

Section

10985

Evaluation

Term

Spring 2022

Course

PHYS 3331 - Thermal Physics

Section

22129

Evaluation

Term

Fall 2021

Course

PHYS 3351 - Analytical Mechanics I

Section

10983

Evaluation

Term

Spring 2021

Course

PHYS 3352 - Analytical Mechanics II

Section

22170

Evaluation

Term

Spring 2021

Course

PHYS 5393 - Special Topics in Physics

Section

26600

Evaluation

Term

Fall 2020

Course

PHYS 3351 - Analytical Mechanics I

Section

11030

Evaluation

Term

Spring 2020

Course

PHYS 3352 - Analytical Mechanics II

Section

22480

Evaluation

Term

Fall 2019

Course

PHYS 3351 - Analytical Mechanics I

Section

11097

Evaluation

Term

Spring 2019

Course

PHYS 3352 - Analytical Mechanics II

Section

22636

Evaluation

Term

Spring 2019

Course

PHYS 1404 - General Physics II

Section

20958

Evaluation

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Tunna Baruah

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Tunna Baruah

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