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William A Goddard

7PUBLICATIONS

134CO-AUTHORS

Theoretical quantum chemistryElectrical energy generation (incl. renewables, excl. photovoltaics)Condensed matter modelling and density functional theoryChemical thermodynamics and energetics

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Publications (7)

Sort by Publication Date:

|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

|Jul 09, 2021

Real-time control of dendritic propagation in rechargeable batteries using adaptive pulse relaxation.

Asghar Aryanfar, Yara Ghamlouche, William A Goddard

|Jan 24, 2020

Li-diffusion at the interface between Li-metal and [Pyr<sub>14</sub>][TFSI]-ionic liquid: Ab initio molecular dynamics simulations.

Boris V Merinov, Saber Naserifar, Sergey V Zybin

|Oct 24, 2019

Accurate non-bonded potentials based on periodic quantum mechanics calculations for use in molecular simulations of materials and systems.

Saber Naserifar, Julius J Oppenheim, Hao Yang

|Nov 10, 2018

The quantum mechanics-based polarizable force field for water simulations.

Saber Naserifar, William A Goddard

|Apr 08, 2017

Polarizable charge equilibration model for predicting accurate electrostatic interactions in molecules and solids.

Saber Naserifar, Daniel J Brooks, William A Goddard

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Frequent Collaborators

3 joint publications

Saber Naserifar

1 joint publications

Ravishankar Sundararaman

1 joint publications

Julius J Oppenheim

1 joint publications

Boris V Merinov

1 joint publications

Sergey Morozov

1 joint publications

Asghar Aryanfar

1 joint publications

Yara Ghamlouche

1 joint publications

Xintian Feng

1 joint publications

Yuezhi Mao

1 joint publications

Alec F White

Frequent Collaborators

3 joint publications

Saber Naserifar

1 joint publications

Ravishankar Sundararaman

1 joint publications

Julius J Oppenheim

1 joint publications

Boris V Merinov

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