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Gregory J O Beran

Showing results (1-10 of 86) with videos related to

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Chemical Science|November 30, 2023
Frontiers of molecular crystal structure prediction for pharmaceuticals and functional organic materialsGregory J O Beran
Chemical Reviews|March 24, 2016
Modeling Polymorphic Molecular Crystals with Electronic Structure TheoryGregory J O Beran
Nature Materials|May 26, 2017
Porous materials: Designed and then realizedGregory J O Beran
Angewandte Chemie (International Ed. in English)|November 4, 2014
A new era for ab initio molecular crystal lattice energy predictionGregory J O Beran
The Journal of Chemical Physics|May 2, 2009
Approximating quantum many-body intermolecular interactions in molecular clusters using classical polarizable force fieldsGregory J O Beran
Chemical Science|November 10, 2025
From polymorphs to cocrystals and salts: successfully predicting axitinib's challenging crystal formsGregory J O Beran
ACS Central Science|May 11, 2016
Compressive Sensing in Quantum Chemistry: A Little Computation Goes a Long WayGregory J O Beran
The Journal of Chemical Physics|April 22, 2019
Reduced computational cost of polarizable force fields by a modification of the always stable predictor-correctorDominique Nocito, Gregory J O Beran
Journal of Chemical Theory and Computation|November 29, 2015
Spatially Homogeneous QM/MM for Systems of Interacting Molecules with on-the-Fly ab Initio Force-Field ParametrizationAli Sebetci, Gregory J O Beran
Journal of Chemical Theory and Computation|November 25, 2015
Accurate Molecular Crystal Lattice Energies from a Fragment QM/MM Approach with On-the-Fly Ab Initio Force Field ParametrizationShuhao Wen, Gregory J O Beran
Pageof 9

Showing results (1-10 of 86) with videos related to

Sort By:
Pageof 9
Chemical Science|November 30, 2023
Frontiers of molecular crystal structure prediction for pharmaceuticals and functional organic materialsGregory J O Beran
Chemical Reviews|March 24, 2016
Modeling Polymorphic Molecular Crystals with Electronic Structure TheoryGregory J O Beran
Nature Materials|May 26, 2017
Porous materials: Designed and then realizedGregory J O Beran
Angewandte Chemie (International Ed. in English)|November 4, 2014
A new era for ab initio molecular crystal lattice energy predictionGregory J O Beran
The Journal of Chemical Physics|May 2, 2009
Approximating quantum many-body intermolecular interactions in molecular clusters using classical polarizable force fieldsGregory J O Beran
Chemical Science|November 10, 2025
From polymorphs to cocrystals and salts: successfully predicting axitinib's challenging crystal formsGregory J O Beran
ACS Central Science|May 11, 2016
Compressive Sensing in Quantum Chemistry: A Little Computation Goes a Long WayGregory J O Beran
The Journal of Chemical Physics|April 22, 2019
Reduced computational cost of polarizable force fields by a modification of the always stable predictor-correctorDominique Nocito, Gregory J O Beran
Journal of Chemical Theory and Computation|November 29, 2015
Spatially Homogeneous QM/MM for Systems of Interacting Molecules with on-the-Fly ab Initio Force-Field ParametrizationAli Sebetci, Gregory J O Beran
Journal of Chemical Theory and Computation|November 25, 2015
Accurate Molecular Crystal Lattice Energies from a Fragment QM/MM Approach with On-the-Fly Ab Initio Force Field ParametrizationShuhao Wen, Gregory J O Beran
Pageof 9