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, biophysicsWebsite:
http://thglab.berkeley.edu/Google:
"Teresa Head-Gordon"Mean distance: 8.53 | S | N | B | C | P |
Parents
Sign in to add mentorCharles 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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Publications
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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 |
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 |
Herbert JM, Head-Gordon M, Hratchian HP, et al. (2022) Words Matter: On the Debate over Free Speech, Inclusivity, and Academic Excellence. The Journal of Physical Chemistry Letters. 13: 7100-7104 |
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 |
Guan X, Das A, Stein CJ, et al. (2022) A benchmark dataset for Hydrogen Combustion. Scientific Data. 9: 215 |
Naullage PM, Haghighatlari M, Namini A, et al. (2022) Protein Dynamics to Define and Refine Disordered Protein Ensembles. The Journal of Physical Chemistry. B |