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Publications by Teresa Head-Gordon
Advanced Potential Energy Surfaces for Condensed Phase Simulation
Annual Review of Physical Chemistry
Theoretical Chemistry
Physical
Accurate Prediction of Chemical Shifts for Aqueous Protein Structure on “Real World” Data
Chemical Science
Chemistry
The Quest for Accurate Liquid Water Properties From First Principles
Journal of Physical Chemistry Letters
Materials Science
Nanotechnology
Physical
Theoretical Chemistry
Nanoscience
A Monte Carlo Method for Generating Side Chain Structural Ensembles
Structure
Structural Biology
Molecular Biology
Improvements to the APBS Biomolecular Solvation Software Suite
Protein Science
Biochemistry
Medicine
Molecular Biology
Convergence of the Many-Body Expansion for Energy and Forces for Classical Polarizable Models in the Condensed Phase
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
An Efficient and Stable Hybrid Extended Lagrangian/Self-Consistent Field Scheme for Solving Classical Mutual Induction
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Approaching the Basis Set Limit for DFT Calculations Using an Environment-Adapted Minimal Basis With Perturbation Theory: Formulation, Proof of Concept, and a Pilot Implementation
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Systematic Improvement of a Classical Molecular Model of Water
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
Exploring the Rich Energy Landscape of Sulfate–Water Clusters SO42–(H2O)n=3–7: An Electronic Structure Approach
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
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