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.

• 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)

• 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.
• Orbital-dependent improvements to density-functional approximations: Application to highly charged molecular anions ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255 (2018), Mark R. Pederson, Javaria Batool.
• The Role of Self-Interaction Corrections, Vibrations and Spin-Orbit Interaction in determining the Ground-Spin State of the Fe(II) Porphyrin (2017), Der-you Kao, Mark R. Pederson, Torsten Hahn, Tunna Baruah, Simon Liebing, Jens Kortus.
• Full self-consistency in the Fermi-orbital self-interaction correction PHYSICAL REVIEW A 95 5 (2017), Zeng-hui Yang, Mark R. Pederson, John P. Perdew.
• Symmetry Breaking within Fermi-Lowdin Orbital Self-Interaction Corrected Density Functional Theory JOURNAL OF CHEMICAL THEORY AND COMPUTATION 13 12 (2017), Torsten Hahn, Sebastian Schwalbe, Jens Kortus, Mark R. Pederson.
• The Role of Self-Interaction Corrections, Vibrations, and Spin-Orbit in Determining the Ground Spin State in a Simple Heme MAGNETOCHEMISTRY 3 4 (2017), Der-you Kao, Mark R. Pederson, Torsten Hahn, Tunna Baruah, Simon Liebing, Jens Kortus.
• The Role of Self-Interaction Corrections, Vibrations, and Spin-Orbit in Determining the Ground Spin State in a Simple Heme MAGNETOCHEMISTRY 3 4 (2017), Der-you Kao, Mark R. Pederson, Torsten Hahn, Tunna Baruah, Simon Liebing, Jens Kortus.
• Use of Lowdin orthogonalised Fermi orbitals for self-interaction corrections in an iron porphyrin MOLECULAR PHYSICS 115 5 (2017), Der-you Kao, 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