Donald G. Truhlar
Affiliations: | Chemistry | University of Minnesota, Twin Cities, Minneapolis, MN |
Area:
Theoretical and Computational ChemistryWebsite:
https://cse.umn.edu/chem/donald-g-truhlarGoogle:
"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 | S | N | B | C | P |
Parents
Sign in to add mentor| Aron Kuppermann | grad student | 1969 | Caltech | |
| (Quantum mechanical calculations for rearrangement collisions of electrons, atoms, and molecules) | ||||
Children
Sign in to add trainee| 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 |
BETA: Related publications
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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 |