Gregory J O Beran

4PUBLICATIONS
3CO-AUTHORS
CeramicsTheoretical quantum chemistryElectrostatics and electrodynamicsNumerical solution of differential and integral equations
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Publications (4)

|Apr 09, 2021
Modeling the α- and β-resorcinol phase boundary via combination of density functional theory and density functional tight-binding.

Cameron Cook, Jessica L McKinley, Gregory J O Beran

|Dec 15, 2020
Reduced-cost supercell approach for computing accurate phonon density of states in organic crystals.

Cameron Cook, Gregory J O Beran

|Apr 22, 2019
Reduced computational cost of polarizable force fields by a modification of the always stable predictor-corrector.

Dominique Nocito, Gregory J O Beran

|Mar 24, 2017
Fast divide-and-conquer algorithm for evaluating polarization in classical force fields.

Dominique Nocito, Gregory J O Beran

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Frequent Collaborators

2 joint publications

Cameron Cook

1 joint publications

Dominique Nocito

1 joint publications

Jessica L McKinley