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Crystal structure predictions for molecules with soft degrees of freedom using intermonomer force fields derived from first principles
by
Nikhar, Rahul
,
Podeszwa, Rafał
,
Rehman, Atta U.
,
Ishaque, Ommair
,
Jing, Aling
,
Melkumov, John W.
,
Hong, Richard
,
Szalewicz, Krzysztof
Published in
Acta crystallographica Section B, Structural science, crystal engineering and materials
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Quantum Smearing in Hybrid Inflation with Chaotic Potentials
by
Ahmed, Waqas
,
Ishaque, Ommair
,
Mansoor Ur Rehman
Published in
arXiv.org
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Acta Crystallographica Section B, Structural Science, Crystal Engineering And Materials
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Acta Crystallographica. Section B, Structural Science
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Arxiv.org
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Ab Initio Computed Interaction Energies
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Couplings
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Crystal Structure
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Crystal Structure Predictions
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Crystals
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Degrees Of Freedom
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Dynamic Structural Analysis
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First Principles
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Force Fields Derived From First Principles
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Galling
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Heating
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Molecular Dynamics
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Molecular Structure
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Symmetry‐Adapted Perturbation Theory
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