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Mark S. Gordon, PhD

Affiliations: 
1970-1992 North Dakota State University, Fargo, ND, United States 
 1992- Chemistry Iowa State University, Ames, IA, United States 
Area:
Quantum Theory
Website:
http://www.chem.iastate.edu/faculty/Mark_Gordon
Google:
"Mark S. Gordon"
Bio:

http://www.msg.chem.iastate.edu/~mark/
https://www.msg.chem.iastate.edu/group/mark/

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Parents

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John Anthony Pople grad student 1968 Carnegie Mellon
Klaus Rüdenberg post-doc 1970 Iowa State

Children

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Yousung Jung research assistant 2001 Iowa State
Kim K. Baldridge grad student 1988 North Dakota State University
Jan H. Jensen grad student 1995 Iowa State
Nikita Matsunaga grad student 1989-1995 Iowa State
Simon P. Webb grad student 1997 Iowa State
Kurt R Glaesemann grad student 1993-1998 Iowa State
Vassiliki-Alexandra Glezakou grad student 2000 Iowa State
Kyle J. Caspersen grad student 2001 Iowa State
Yuri A. Alexeev grad student 2002 Iowa State
Mark A. Freitag grad student 2002 Iowa State
Michael V. Pak grad student 2002 Iowa State
Ivana Adamovic grad student 2004 Iowa State
Heather M. Netzloff grad student 2004 Iowa State
Jamie M. Rintelman grad student 2004 Iowa State
Christine M. Aikens grad student 2005 Iowa State
Jonathan L. Bentz grad student 2005 Iowa State
Feng Cui grad student 2005 Iowa State
Sergey A. Varganov grad student 2005 Iowa State
Abdulilah A. Dawoud grad student 2006 Iowa State
Ryan M. Olson grad student 2007 Iowa State
Bosiljka Njegic grad student 2008 Iowa State
Deborah Zorn grad student 2008 Iowa State
Alex J. Blom grad student 2009 Iowa State
Jonathan M. Mullin grad student 2009 Iowa State
Pooja Arora Dibya grad student 2010 Iowa State
Sarom Sok Leang grad student 2011 Iowa State
Luke B. Roskop grad student 2011 Iowa State
Quentin A. Smith grad student 2011 Iowa State
Andrey Asadchev grad student 2012 Iowa State
Philip J. Carlson grad student 2012 Iowa State
Sean A. Nedd grad student 2012 Iowa State
Spencer R. Pruitt grad student 2012 Iowa State
George Schoendorff grad student 2012 Iowa State
Kurt R. Brorsen grad student 2014 Iowa State
Peng Xu grad student 2014 Iowa State
Kristopher Keipert grad student 2012-2017 Iowa State
Juan J Duchimaza Heredia grad student 2012-2018 Iowa State
Larry Burggraf post-doc Iowa State (Physics Tree)
Dipayan Datta post-doc 2019- Iowa State University/Ames Lab (DOE)
Thomas R. Cundari post-doc 1990-1991 North Dakota State University
Pradipta Bandyopadhyay post-doc 1999-2001 Iowa State
Lyudmila V. Slipchenko post-doc 2008 Iowa State
Yingbin Ge post-doc 2005-2008 Iowa State

Collaborators

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Publications

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Sattasathuchana T, Xu P, Bertoni C, et al. (2024) The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large Systems. Journal of Chemical Theory and Computation
Xu P, Leonard SL, O'Brien W, et al. (2023) R Dispersion Interaction: Derivation and Application to the Effective Fragment Potential Method. The Journal of Physical Chemistry. A
Nakamura T, Dangi BB, Wu L, et al. (2023) Spin-orbit coupling of electrons on separate lanthanide atoms of Pr2O2 and its singly charged cation. The Journal of Chemical Physics. 159
Datta D, Gordon MS. (2023) Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP Directives. Journal of Chemical Theory and Computation. 19: 7640-7657
Zahariev F, Xu P, Westheimer BM, et al. (2023) The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures. Journal of Chemical Theory and Computation. 19: 7031-7055
Pham BQ, Carrington L, Tiwari A, et al. (2023) Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method. The Journal of Chemical Physics. 158
Dunning TH, Gordon MS, Xantheas SS. (2023) The nature of the chemical bond. The Journal of Chemical Physics. 158: 130401
Galvez Vallejo JL, Tow GM, Maginn EJ, et al. (2023) Quantum Chemical Modeling of Propellant Degradation. The Journal of Physical Chemistry. A
Zhang Y, Nakamura T, Wu L, et al. (2022) Electronic states and transitions of PrO and PrO probed by threshold ionization spectroscopy and spin-orbit multiconfiguration perturbation theory. The Journal of Chemical Physics. 157: 114304
Wu L, Schoendorff G, Zhang Y, et al. (2022) Excited states of lutetium oxide and its singly charged cation. The Journal of Chemical Physics. 156: 084303
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