Martin Head-Gordon, PhD

University of California, Berkeley, Berkeley, CA 
Theoretical Chemistry
"Martin Head-Gordon"

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Greg Beran grad student UC Riverside
Kristina D. Closser grad student
Yi-Pei Li grad student UC Berkeley
Edward F. Byrd grad student 2001 UC Berkeley
Troy A. Van Voorhis grad student 2001 UC Berkeley
Yihan Shao grad student 2002 UC Berkeley
Jennifer L. Weisman grad student 2003 UC Berkeley
Gregory J. Beran grad student 2005 UC Berkeley
Yousung Jung grad student 2005 UC Berkeley
Anthony D. Dutoi grad student 2006 UC Berkeley
Rohini C. Lochan grad student 2006 UC Berkeley
Joseph E. Subotnik grad student 2006 UC Berkeley
Rustam Z. Khaliullin grad student 2007 UC Berkeley
Alexander J. Sodt grad student 2007 UC Berkeley
Ryan P. Steele grad student 2008 UC Berkeley
Frank L. Yip grad student 2008 UC Berkeley
Anthony J. Goodrow grad student 2009 UC Berkeley
Keith V. Lawler grad student 2009 UC Berkeley
Robert A. DiStasio Jr. grad student 2004-2009 UC Berkeley
John A. Parkhill grad student 2005-2010 UC Berkeley
Westin Kurlancheek grad student 2011 UC Berkeley
Franziska Bell grad student 2012 UC Berkeley
Matthew B. Goldey grad student 2014 UC Berkeley
Eric J. Sundstrom grad student 2014 UC Berkeley
Shaama Mallikarjun Sharada grad student 2010-2015
Yuezhi Mao grad student 2012-2017 UC Berkeley
Romit Chakraborty post-doc UC Berkeley
Jason D. Goodpaster post-doc UC Berkeley
Chao-Ping (Cherri) Hsu post-doc
Roberto Peverati post-doc
Ehud Tsivion post-doc 2013- chemistry
James Shee post-doc 2019- UC Berkeley
Christian Ochsenfeld post-doc 1995-1998 UC Berkeley
Anna I. Krylov post-doc 1996-1998 UC Berkeley
Roi Baer post-doc 1997-1998 UC Berkeley
C. David Sherrill post-doc 1996-1999 UC Berkeley
So Hirata post-doc 1998-1999 UC Berkeley
Steven R. Gwaltney post-doc 1998-2002 UC Berkeley
Garnet K.L. Chan post-doc 2000-2002 UC Berkeley
Andreas Dreuw post-doc 2001-2003 UC Berkeley
John M. Herbert post-doc 2006 UC Berkeley
Alán Aspuru-Guzik post-doc 2005-2006 UC Berkeley
Young M. Rhee post-doc 2008 UC Berkeley
Jeng-Da Chai post-doc 2006-2009 UC Berkeley
Daniel S. Lambrecht post-doc 2012 UC Berkeley
Paul M. Zimmerman post-doc 2010-2012 UC Berkeley
Eleonora Luppi post-doc 2011-2012 UC Berkeley
Evgeny Epifanovskiy post-doc 2011-2014
Nicholas J. Mayhall post-doc 2011-2015 UC Berkeley
Susi Lehtola post-doc 2014-2017 Lawrence Berkeley National Lab, UC Berkeley
Xintin Feng post-doc 2016-2018
Zhou Lin post-doc 2018-2020 LBNL/UC Berkeley
Joseph A Gauthier post-doc 2020-2021 LBNL/UC Berkeley
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Haghighatlari M, Li J, Guan X, et al. (2022) NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces. Digital Discovery. 1: 333-343
Aljama HA, Head-Gordon M, Bell AT. (2022) Assessing the stability of Pd-exchanged sites in zeolites with the aid of a high throughput quantum chemistry workflow. Nature Communications. 13: 2910
Guan X, Das A, Stein CJ, et al. (2022) A benchmark dataset for Hydrogen Combustion. Scientific Data. 9: 215
Arsenault EA, Guerra WD, Shee J, et al. (2022) Concerted Electron-Nuclear Motion in Proton-Coupled Electron Transfer-Driven Grotthuss-Type Proton Translocation. The Journal of Physical Chemistry Letters. 4479-4485
Liang J, Feng X, Hait D, et al. (2022) Revisiting the Performance of Time-Dependent Density Functional Theory for Electronic Excitations: Assessment of 43 Popular and Recently Developed Functionals from Rungs One to Four. Journal of Chemical Theory and Computation
Cunha LA, Hait D, Kang R, et al. (2022) Relativistic Orbital-Optimized Density Functional Theory for Accurate Core-Level Spectroscopy. The Journal of Physical Chemistry Letters. 13: 3438-3449
Góbi S, Lin Z, Zhu C, et al. (2022) Oxygen Isotope Exchange between Carbon Dioxide and Iron Oxides on Mars' Surface. The Journal of Physical Chemistry Letters. 13: 2600-2606
Stauch T, Ganoe B, Wong J, et al. (2021) Molecular Magnetizabilities Computed Via Finite Fields: Assessing Alternatives to MP2 and Revisiting Magnetic Exaltations in Aromatic and Antiaromatic Species. Molecular Physics. 119
Shee J, Loipersberger M, Rettig A, et al. (2021) Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost. The Journal of Physical Chemistry Letters. 12: 12084-12097
Alfarano SR, Pezzotti S, Stein CJ, et al. (2021) Stripping away ion hydration shells in electrical double-layer formation: Water networks matter. Proceedings of the National Academy of Sciences of the United States of America. 118
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