☰

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/
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"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 Istanbul Technical University
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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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
Liang J, Wang Z, Li J, et al. (2023) Efficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets. Journal of Chemical Theory and Computation
Witek J, Heindel JP, Guan X, et al. (2022) M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains. Molecular Physics. 121
Teixeira JMC, Liu ZH, Namini A, et al. (2022) IDPConformerGenerator: A Flexible Software Suite for Sampling the Conformational Space of Disordered Protein States. The Journal of Physical Chemistry. A
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