Dr. Pederson joins UTEP, after years of government service as a research scientist and program manager, with a research background in chemical physics, condensed-matter physics, and computational physics. He received his doctoral degree from the University of Wisconsin-Madison – where he was recognized as a Distinguished Alumni in the Department of Physics – and bachelors’s degree from the University of Michigan, Ann Arbor.

• Stanford Study Identified Pederson as in top 2 Percent of Applied Physicists and most highly cited researcher at UTEP. (09/01/2022-09/30/2022)
• Fellow of the American Physical Society - American Physical Society (03/01/1999)

• Ph D in Theoretical Physics, University of Wisconsin (1986)
• BS in Physics, University of Michigan (1981)

• Orbital dependent complications for close vs well-separated electrons in diradicals J. Chemical Physics 159 23 (2023), Zahra Hooshmand Gharehbagh, Mark R. Pederson.
• 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.
• A Perspectiveon SustainableComputationalChemistrySoftwareDevelopmentand Integration (2023), Mark R. Pederson.
• Electric control of spin states in frustrated triangular molecular magnets Physical Review B 107 (2023), Jose F. Nossa, Mohammad F. Islam, Mark R. Pederson, Carlo M. Canali.
• Room temperature colossal superparamagnetic order in aminoferrocene-graphene molecular magnets Applied Physics letters 122 (2023), Yohannes W. Getahun, Felicia S. Manciu, Mark R. Pederson, Ahmed A. El-Gendy.
• 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.
• 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.
• Density Matrix Implementation of the Fermi−Löwdin Orbital SelfInteraction Correction M Journal of Physical Chemistry A (2023), Juan I. Melo, Mark R. Pederson, Juan Peralta.
• Electronic control of strong magnetic anisotropy in Co-based single-molecule magnets Physics Review B 104 (2021), Mark R. Pederson, Zahra Hooshamand.
• Electronic and magnetic signatures of low-lying spin-flip excitonic states of Mn12O12-acetate Polyhedron 206 (2021), Mark R. Pederson, Karma Dema, Zahra Hooshmand.
• Self-Interaction Correction in Water-Ion Clusters J Chem Physics 154 (2021), Mark R. Pederson.
• Initial Fermi orbital descriptors for FLOSIC calculations: The quick-FOD method, DB Nguyen, MR Pederson Chemical Physics Letters 780 (2021), Mark R. Pederson.
• Electromagnetic control of spin ordered Mn3 qubits: a density functional study Phys.Chem.Chem.Phys 22 (2020), Zahra Hooshmand Gharehbagh, Mark R. Pederson.
• A multiferroic molecular magnetic qubit Journal of Chemical Physics 151 (2019), Alexander I. Johnson, M F. Islam, Carlo Canali, Mark R. Pederson.
• Magnetic Signatures of Hydroxyl‐ and Water‐Terminated Neutral and Tetra‐Anionic Mn12‐Acetate Journal of Computational Chemistry (2019), Javaria Batool, Torsten Hahn, Mark R. Pederson.
• Theoretical studies of the vibrational properties of octahedrane (C12H12): A polyhedral caged hydrocarbon molecule JOURNAL OF CHEMICAL PHYSICS 150 21 (2019), Daniel Finkenstadt, Michael J. Mehl, Mark R. Pederson, Steven L. Richardson.

• 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.
• 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.
• Symmetry Breaking & Restoration in Fermi-Lowdin Orbital Self-interaction (2022), Volume Austin TX / Virtual, Mark R. Pederson, .
• Triangular Molecular Magnets: Chemical Models for Protons, Qubits, or Quantum Sensors? (2021), Volume Newark New Jersey, Mark R. Pederson.
• Molecular Magnets: Discoveries from and Challenges for Electronic Structure Methods (2021), Volume Columbia University / Virtual, Mark R. Pederson, .
• Molecular Magnets: Challenges for Electronic Structure and Some Departures from Simplicity (2021), Volume Manchester England / Virtual, Mark R. Pederson, .
• Manifestations of three-spin physics in molecular magnets (2020), Volume Arlington TX, Mark R. Pederson.
• Triangular Molecular Magnets: Chemical Models for Protons, Qubits, or Quantum Sensors? (2020), Volume Minneapolis MN, Mark R. Pederson.
• Triangular Molecular Magnets: Chemical Models for Protons, Qubits, or Quantum Sensors? (2020), Volume Temple University Philadelphia, Mark R. Pederson.
• Molecular Magnet (2020), Volume Ames Iowa, Mark R. Pederson.
• Single Hamiltonian for self-interaction corrected DFT with Fermi-Lowdin orbitals (2020), Volume Denver, canceled due to the pandemic, Tunna Baruah, Mark R. Pederson.
• Molecular Magnets for Spectroscopic Sensing of Chemical Reactions and Qubits (2019), Volume Baton Rouge Lousiana, Mark R. Pederson.
• Molecular Magnets for Spectroscopic Sensing of Chemical Reactions and Qubits (2019), Volume New Orleans, Louisiana, Mark R. Pederson.
• Molecular Magnets for Spectroscopic Sensing of Chemical Reactions and Qubits (2019), Volume Richmond, Mark R. Pederson.
• Molecular Magnets for Spectroscopic Sensing of Chemical Reactions and Qubits (2019), Volume Los Alamos, New Mexico, Mark R. Pederson.
• FLOSIC at Five: Challenges, Complexities and Simplifications (2019), Volume Freiberg Germany, Mark R. Pederson.

• FLO-SIC : Efficient Density-Functional Theory Calculations
• FLO-SIC : Efficient Density-Functional Theory Calculations