Teresa Head-Gordon

6PUBLICATIONS
137CO-AUTHORS
Theoretical quantum chemistrySequence analysisMathematical aspects of general relativityFormal methods for softwareCondensed matter characterisation technique development
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Publications (6)

|Sep 02, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng

|Mar 17, 2019
The combined force field-sampling problem in simulations of disordered amyloid-β peptides.

James Lincoff, Sukanya Sasmal, Teresa Head-Gordon

|Feb 24, 2019
Mutually polarizable QM/MM model with in situ optimized localized basis functions.

Jacek Dziedzic, Teresa Head-Gordon, Martin Head-Gordon

|Nov 17, 2018
Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science.

Anna Krylov, Theresa L Windus, Taylor Barnes

|Jun 17, 2018
A structural coarse-grained model for clays using simple iterative Boltzmann inversion.

Karl Schaettle, Luis Ruiz Pestana, Teresa Head-Gordon

|Nov 04, 2017
Assessing many-body contributions to intermolecular interactions of the AMOEBA force field using energy decomposition analysis of electronic structure calculations.

Omar Demerdash, Yuezhi Mao, Tianyi Liu

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Frequent Collaborators

2 joint publications

Anna Krylov

2 joint publications

Martin Head-Gordon

1 joint publications

Karl Schaettle

1 joint publications

Jessica A Nash