Shervin   Fatehi

Assistant Professor  

Office: ESCNE 3.308
Phone: (956) 665-8724
Email: shervin.fatehi@utrgv.edu
Website: www.shervinfatehi.com

Professor Shervin Fatehi

Born in Iran; raised in Virginia; educated at MIT and UC Berkeley; trained at Penn and the University of Utah; founding faculty member at UTRGV.





Selected Publications


  • Yihan Shao, Zhengting Gan, Evgeny Epifanovsky, Andrew Gilbert, Michael Wormit, Joerg Kussmann, Shervin Fatehi, "Advances in molecular quantum chemistry contained in the Q-Chem 4 program package," Molecular Physics 113, no. 2 (2015): 184–215.

  • Shervin Fatehi and Ryan Steele. "Multiple-Time Step Ab Initio Molecular Dynamics Based on Two-Electron Integral Screening," Journal of Chemical Theory and Computation 11, no. 3 (2015): 884–898.

  • Joseph Subotnik, Ethan Alguire, Qi Ou, Brian Landry, and Shervin Fatehi. "The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings and Diabatic Electronic Couplings," Accounts of chemical research (2015).

  • Ethan Alguire, Shervin Fatehi, Yihan Shao, and Joseph Subotnik. "Analysis of localized diabatic states beyond the Condon approximation for excitation energy transfer processes," The Journal of Physical Chemistry A 118, no. 51 (2014): 11891–11900.

  • Qi Ou, Shervin Fatehi, Ethan Alguire, Yihan Shao, and Joseph Subotnik. "Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation," The Journal of chemical physics 141, no. 2 (2014): 024114.

  • Qi Ou, Shervin Fatehi, Ethan Alguire, Yihan Shao, and Joseph Subotnik. "Publisher’s Note:“Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation”[J. Chem. Phys. 141, 024114 (2014)]," The Journal of chemical physics 141, no. 6 (2014): 069903.

  • Shervin Fatehi, Ethan Alguire, and Joseph Subotnik. "Derivative couplings and analytic gradients for diabatic states, with an implementation for Boys-localized configuration-interaction singles," The Journal of chemical physics 139, no. 12 (2013): 124112.

  • Xinle Liu, Shervin Fatehi, Yihan Shao, Brad Veldkamp, and Joseph Subotnik. "Communication: Adjusting charge transfer state energies for configuration interaction singles: Without any parameterization and with minimal cost," The Journal of chemical physics 136, no. 16 (2012): 161101.

  • Shervin Fatehi and Joseph Subotnik. "Derivative couplings with built-in electron-translation factors: Application to benzene," The Journal of Physical Chemistry Letters 3, no. 15 (2012): 2039–2043.

  • Shervin Fatehi, Ethan Alguire, Yihan Shao, and Joseph Subotnik. "Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance," The Journal of chemical physics 135, no. 23 (2011): 234105.



Selected Grants and Fellowships


  • Shervin Fatehi. Stochastic Methods for Highly Accurate Quantum Chemistry Extended to Nonadiabatic Molecular Dynamics, The Welch Foundation, $195,000.00 (June 1, 2017 - May 31, 2020)

  • Shervin Fatehi. Measuring Ultrafast X-Ray Induced Processes in an Aqueous Environment, Linac Coherent Light Source, Stanford Linear Accelerator Center, ( )

  • Javier Macossay-Torres. Incorporation of 3D Printing into the Classroom, New Matter Corporation, $2,000.00 (May 2016 - April 2017)



Selected Presentations


  • Shervin Fatehi. "Toward a complete framework for non adiabatic dynamics with full configuration interaction," 73rd American Chemical Society Southwest Regional Meeting, American Chemical Society, Lubbock, TX (October 2017)

  • Shervin Fatehi. "Qualitative criteria and screening strategies for intermolecular Coulombic decay in solution," 72nd American Chemical Society Southwest Regional Meeting, American Chemical Society, Galveston, TX (November 2016)

  • Shervin Fatehi. "Qualitative criteria for energy transfer in solution," 24th Gordon Research Conference on Electron Donor–Acceptor Interactions, Gordon Research Conferences, Newport, RI (August 2016)

  • Shervin Fatehi. "Qualitative criteria for energy transfer in solution," 9th Congress of the International Society for Theoretical Chemical Physics, International Society for Theoretical Chemical Physics, Grand Forks, ND (July 2016)

  • Shervin Fatehi. "Qualitative criteria for energy transfer in solution," 1st Gordon Research Conference on Molecular Interactions & Dynamics, Gordon Research Conferences, Easton, MA (July 2016)

  • Shervin Fatehi. "Chemistry beyond Born–Oppenheimer and targeted energy transfer," Chemistry Department Seminar, The University of Texas Rio Grande Valley, Edinburg, TX (May 2015)

  • Shervin Fatehi. "Unusual physical principles for designing new materials and therapies," Chemistry Department Seminar, Jackson State University, Jackson, MS (April 2015)

  • Shervin Fatehi. "Chemistry beyond Born–Oppenheimer: Energy transfer in large molecules," Chemistry Department Seminar, Hofstra University, Hempstead, NY (February 2015)

  • Shervin Fatehi. "Multiple-timestep ab initio molecular dynamics: Correlation, screening, and beyond," Institute of High Performance Computing Seminar, Agency for Science, Technology, and Research, Singapore (February 2015)

  • Shervin Fatehi. "Beyond Born–Oppenheimer: The chemistry of electrons and nuclei moving together," Chemistry Department Seminar, William Paterson University, Wayne, NJ (January 2015)

Current Courses

UNIV 4000 10 - Directed Research:
Syllabus
Course Evaluations
Textbooks
CHEM 3105 01 - Physical Chemistry II Lab:
Syllabus
Course Evaluations
Textbooks
CHEM 4305 02I - Chemistry Capstone:
Syllabus
Course Evaluations
Textbooks
CHEM 4305 01I - Chemistry Capstone:
Syllabus
Course Evaluations
Textbooks
CHEM 3305 02I - Physical Chemistry II:
Syllabus
Course Evaluations
Textbooks
CHEM 3305 01I - Physical Chemistry II:
Syllabus
Course Evaluations
Textbooks
CHEM 1112 07 - General Chemistry II Lab:
Syllabus
Course Evaluations
Textbooks

Previous Courses