Donald G. Truhlar

Affiliations: 
Chemistry University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical and Computational Chemistry
Website:
https://cse.umn.edu/chem/donald-g-truhlar
Google:
"Donald G. Truhlar"
Bio:

http://www.nasonline.org/member-directory/members/38339.html
http://comp.chem.umn.edu/truhlar/
http://www.chem.umn.edu/alumni/IndFacPages/Truhlar.html
http://scholar.google.com/citations?user=1gaf87YAAAAJ&hl=en
http://resolver.caltech.edu/CaltechETD:etd-01082009-135357
http://dx.doi.org/10.1021/jp058265t
http://www.chem.ccu.edu.tw/~hu/Web_Lib/literature/dynamics/biography.pdf

Mean distance: 8.18
 
SNBCP

Parents

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Aron Kuppermann grad student 1969 Caltech
 (Quantum mechanical calculations for rearrangement collisions of electrons, atoms, and molecules)

Children

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Gillian Shaw research assistant UMN
Jordi Villà-Freixa research assistant 1995-1998
Luis Miguel Campos research assistant 2003 UMN
Xiao He research assistant 2014-2015 UMN
Yi-Ping Liu grad student UMN
Steven L. Mielke grad student UMN
Eric Schwegler grad student UMN
Devarajan Thirumalai grad student UMN
Jie Bao grad student 2015- UMN
Rex T. Skodje grad student 1983 UMN
Susan C Tucker grad student 1984 UMN
Thanh N. Truong grad student 1990 UMN
David C. Chatfield grad student 1991 UMN
Jianhua Xing grad student 1996-1998 UMN
Yao-Yuan Chuang grad student 1994-1999 UMN
Patton L. Fast grad student 2000 UMN
Michael D. Hack grad student 2000 UMN
Tiqing Liu grad student 2000 UMN
Yuri L. Volobuev grad student 2000 UMN
Ahren W. Jasper grad student 2003 UMN
Benjamin J. Lynch grad student 2003 UMN
Jason David Thompson grad student 2004 UMN
Jingzhi Pu grad student 1999-2004 UMN
Arindam Chakraborty grad student 2005 UMN
Vanessa M. Lynch grad student 2005 UMN
Yan Zhao grad student 2005 UMN
Shikha Nangia grad student 2006 UMN
Nathan E. Schultz grad student 2006 UMN
Erin E. Dahlke grad student 2007 UMN
Benjamin A. Ellingson grad student 2007 UMN
Casey P. Kelly grad student 2007 UMN
Wangshen Xie grad student 2008 UMN
Ewa Papajak grad student 2012 UMN
Tao Yu grad student 2012 UMN
Hannah R. Leverentz grad student 2007-2012 UMN
Sijie Luo grad student 2014 UMN
Ke R. Yang grad student 2014 UMN
Junwei Lucas Bao grad student 2013-2018 UMN
John Alecu post-doc UMN
Boris Averkiev post-doc
Christopher J. Cramer post-doc UMN
Bruce Garrett post-doc UMN
Mark Alan Iron post-doc UMN
Miho Isegawa post-doc UMN
Ruben Meana Paneda post-doc
Roberto Peverati post-doc
Gregory Tawa post-doc UMN
Bo Yang post-doc UMN
Robert Q. Topper post-doc 1990-1992 UMN
Melissa S. Reeves post-doc 1991-1993 UMN
Xavier Assfeld post-doc 1996 UMN
James Xidos post-doc 1999-2001 UMN
Hai Lin post-doc 2003-2005
Santhanamoorthi Nachimuthu post-doc 2010-2011 UMN
Anant  D. Kulkarni post-doc 2010-2012 UMN
Hannah R. Leverentz post-doc 2013-2013 UMN
Jingjing Zheng post-doc 2006-2015
Prasenjit Seal post-doc 2011-2015 UMN
Xin-Ping Wu post-doc 2016-2019 UMN
Jingyun Ye post-doc 2016-2019 UMN
Sijia Dong post-doc 2017-2019 UMN
Indrani Choudhuri post-doc 2018-2020 UMN

Collaborators

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Soumen Ghosh collaborator 2014- UMN
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Publications

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Mitchell EC, Scott TR, Bao JJ, et al. (2022) Application of Multiconfiguration Pair-Density Functional Theory to the Diels-Alder Reaction. The Journal of Physical Chemistry. A
Sauza-de la Vega A, Pandharkar R, Stroscio GD, et al. (2022) Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits. Jacs Au. 2: 2029-2037
King DS, Hermes MR, Truhlar DG, et al. (2022) Large-Scale Benchmarking of Multireference Vertical-Excitation Calculations via Automated Active-Space Selection. Journal of Chemical Theory and Computation
Zhou C, Hermes MR, Wu D, et al. (2022) Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory. Chemical Science. 13: 7685-7706
Ye J, Truhlar DG. (2022) Simple Approximation for the Ideal Reference State of Gases Adsorbed on Solid-State Surfaces. Journal of the American Chemical Society
Stroscio GD, Zhou C, Truhlar DG, et al. (2022) Multiconfiguration Pair-Density Functional Theory Calculations of Iron(II) Porphyrin: Effects of Hybrid Pair-Density Functionals and Expanded RAS and DMRG Active Spaces on Spin-State Orderings. The Journal of Physical Chemistry. A
Sharma P, Jenkins AJ, Scalmani G, et al. (2022) Exact-Two-Component Multiconfiguration Pair-Density Functional Theory. Journal of Chemical Theory and Computation
Wu D, Zhou C, Bao JJ, et al. (2022) Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory. Journal of Chemical Theory and Computation. 18: 2199-2207
Xia Y, Long B, Lin S, et al. (2022) Large Pressure Effects Caused by Internal Rotation in the -Acrolein Stabilized Criegee Intermediate at Tropospheric Temperature and Pressure. Journal of the American Chemical Society
Han S, de Oliveira-Filho AGS, Shu Y, et al. (2022) Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A 2S+) by H2 Based on an Improved Full-Dimensional Ab Initio Diabatic Potential Energy Matrix. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
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