☰

Teresa Head-Gordon, Ph.D.

Affiliations: 
Chemistry, Bioengineering, Chemical and Biomolecular Engineering University of California, Berkeley, Berkeley, CA, United States 
Area:
Theoretical and computational chemistry, biophysics
Website:
http://thglab.berkeley.edu/
Google:
"Teresa Head-Gordon"
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Parents

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Charles L. Brooks grad student 1984-1989 Carnegie Mellon
Ronald M. Levy post-doc 1989-1990 Temple University
Frank H. Stillinger post-doc 1990-1992 Bell Labs

Children

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Richard C. Yu research assistant 1993-1995 Lawrence Berkeley National Lab, UC Berkeley
Nicoletta Liguori research assistant 2011 UC Berkeley
Yuchen Liu research assistant 2019-2020 UC Berkeley College of Chemistry
H. Sienny Shang grad student 1994-1998 Academia Sinica Institute of Astronomy and Astrophysics
Jon M. Sorenson grad student 1996-2001 UC Berkeley
Gregory L. Hura grad student 1998-2004 UC Santa Cruz
Nicolas L. Fawzi grad student 2003-2007 Brown
Elizabeth Verschell grad student 2002-2008 UC Berkeley
Matthew S. Lin grad student 2009 University of California, Berkeley / University of California, San Francisco
Margaret  E. Johnson grad student 2004-2009 Johns Hopkins
Eng H. Yap grad student 2004-2010 University of California, Berkeley / University of California, San Francisco
Katherine Aurelia Ball grad student 2008-2013 Skidmore College
Saurabh Belsare grad student 2012-2017 University of California, Berkeley / University of California, San Francisco
Lisa Felberg grad student 2012-2017 UC Berkeley
Sukanya Sasmal grad student 2012-2017 UC Berkeley
Alex Albaugh grad student 2012-2018 UC Berkeley
James Lincoff grad student 2014-2019 UC Berkeley
Shuai Liu grad student 2014-2019 UC Berkeley
Jie (Jerry) Li grad student 2018-2022 UC Berkeley
Sudip Chakraborty post-doc UC Berkeley
Jesús Valdiviezo post-doc UC Berkeley College of Chemistry
Sara Y. Cheng post-doc 2018- UC Berkeley
Akshaya Das post-doc 2018- UC Berkeley
Itai Leven post-doc 2018- UC Berkeley
Dominique Nocito post-doc 2019- UC Berkeley
Jagna Witek post-doc 2019- UC Berkeley
Silvia Crivelli post-doc 1997-2001 Lawrence Berkeley National Lab, UC Berkeley
Chao-Ping (Cherri) Hsu post-doc 1998-2001 UC Berkeley
Shijun Zhong post-doc 1999-2002 Dalian University of Technology
Scott Brown post-doc 2001-2003 UC Berkeley
Daniela Russo post-doc 2001-2003 Institut Laue-Langevin
Pradipta Bandyopadhyay post-doc 2003-2004 UC Berkeley
Rajesh Murarka post-doc 2004-2005 UC Berkeley
Itay Lotan post-doc 2005-2006 UC Berkeley (Computer Science Tree)
Cécile Malardier-Jugroot post-doc 2005-2008 Royal Military College of Canada (Canada)
Jonathan E. Kohn post-doc 2006-2009 UC Berkeley
Jory Z. Ruscio post-doc 2007-2009 UC Berkeley (Computer Science Tree)
Alexander J. Sodt post-doc 2007-2009 NIH (NICHD)
Gary NI Clark post-doc 2008-2010 UC Berkeley
Paul S. Nerenberg post-doc 2010-2011 UC Berkeley
Sudip Chakraborty post-doc 2010-2013 IISC Bangalore, India
Mert Gur post-doc 2014-2015 UC Berkeley
Omar N. Demerdash post-doc 2013-2017 UC Berkeley
Luis Ruiz Pestana post-doc 2015-2019 University of Miami
Kochise Bennett post-doc 2017-2019 UC Berkeley
Valerie Vaissier post-doc 2017-2019 Virginia Tech

Collaborators

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Publications

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Amaro RE, Åqvist J, Bahar I, et al. (2025) The need to implement FAIR principles in biomolecular simulations. Nature Methods
Heindel JP, Kim L, Head-Gordon M, et al. (2025) Completely Multipolar Model for Many-Body Water-Ion and Ion-Ion Interactions. The Journal of Physical Chemistry Letters. 975-984
Wang Z, Ikeda K, Shen H, et al. (2025) Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Mo̷ller-Plesset Theory: An Extensible, Orthogonal Formulation with Useful Basis Set Convergence for All Terms. Journal of Chemical Theory and Computation. 21: 1163-1178
Li J, Liang J, Wang Z, et al. (2024) Highly Accurate Prediction of NMR Chemical Shifts from Low-Level Quantum Mechanics Calculations Using Machine Learning. Journal of Chemical Theory and Computation
Carter-Fenk K, Liu M, Pujal L, et al. (2023) The Energetic Origins of Pi-Pi Contacts in Proteins. Journal of the American Chemical Society
Li WL, Chen K, Rossomme E, et al. (2023) Greater transferability and accuracy of norm-conserving pseudopotentials using nonlinear core corrections. Chemical Science. 14: 10934-10943
Khuu T, Schleif T, Mohamed A, et al. (2023) Intra-cluster Charge Migration upon Hydration of Protonated Formic Acid Revealed by Anharmonic Analysis of Cold Ion Vibrational Spectra. The Journal of Physical Chemistry. A
Rossomme E, Cunha LA, Li W, et al. (2023) The Good, the Bad, and the Ugly: Pseudopotential Inconsistency Errors in Molecular Applications of Density Functional Theory. Journal of Chemical Theory and Computation. 19: 2827-2841
Wong J, Ganoe B, Liu X, et al. (2023) An in-silico NMR laboratory for nuclear magnetic shieldings computed via finite fields: Exploring nucleus-specific renormalizations of MP2 and MP3. The Journal of Chemical Physics. 158
Aldossary A, Gimferrer M, Mao Y, et al. (2023) Force Decomposition Analysis: A Method to Decompose Intermolecular Forces into Physically Relevant Component Contributions. The Journal of Physical Chemistry. A
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