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
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
Robert A. DiStasio grad student 2009 UC Berkeley
Anthony J. Goodrow grad student 2009 UC Berkeley
Keith V. Lawler grad student 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
Ehud Tsivion post-doc 2013- chemistry
Zhou Lin post-doc 2018- UC Berkeley
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
Nicholas J. Mayhall post-doc 2011-2015 UC Berkeley
Susi Lehtola post-doc 2014-2017 Lawrence Berkeley National Lab, UC Berkeley
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De Riccardis A, Lee M, Kazantsev RV, et al. (2020) Heterogenized Pyridine-Substituted Cobalt(II) Phthalocyanine Yields Reduction of CO by Tuning the Electron Affinity of the Co Center. Acs Applied Materials & Interfaces
Loipersberger M, Mao Y, Head-Gordon M. (2020) Variational Forward-Backward Charge Transfer Analysis Based on Absolutely Localized Molecular Orbitals: Energetics and Molecular Properties. Journal of Chemical Theory and Computation
Stein CJ, Herbert JM, Head-Gordon M. (2019) The Poisson-Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients. The Journal of Chemical Physics. 151: 224111
Rossomme E, Lininger CN, Bell AT, et al. (2019) Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls. Physical Chemistry Chemical Physics : Pccp
Lee J, Small DW, Head-Gordon M. (2019) Excited states via coupled cluster theory without equation-of-motion methods: Seeking higher roots with application to doubly excited states and double core hole states. The Journal of Chemical Physics. 151: 214103
Lee J, Lin L, Head-Gordon M. (2019) Systematically Improvable Tensor Hypercontraction: Interpolative Separable Density-Fitting for Molecules Applied to Exact Exchange, Second- and Third-Order Møller-Plesset Perturbation Theory. Journal of Chemical Theory and Computation
Veccham SP, Lee J, Head-Gordon M. (2019) Making many-body interactions nearly pairwise additive: The polarized many-body expansion approach. The Journal of Chemical Physics. 151: 194101
Loipersberger M, Lee J, Mao Y, et al. (2019) Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO and Pyridine and Imidazole. The Journal of Physical Chemistry. A
Lee J, Bertels LW, Small DW, et al. (2019) Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry Dilemma. Physical Review Letters. 123: 113001
Stauch T, Chakraborty R, Head-Gordon M. (2019) Quantum Chemical Modeling of Pressure-Induced Spin Crossover in Octahedral Metal-Ligand Complexes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
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