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David M. Rogers

University of South Florida
Sandia National Laboratories
University of Edinburgh

131

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2578

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DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization.

2022 Comput. Phys. Commun.
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Disseminated Histoplasmosis in a Patient With Multiple Sclerosis Treated With Fingolimod.

2021 Neuroimmunology and Neuroinflammation
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Near-Ultraviolet Circular Dichroism and Two-Dimensional Spectroscopy of Polypeptides.

2021 Molecules
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Molecular basis for higher affinity of SARS-CoV-2 spike RBD for human ACE2 receptor

2021
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Free Energies of Hydrated Halide Anions: High throughput Computations on Clusters to Treat Rough Energy-Landscapes

2021
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Protein Conformational States—A First Principles Bayesian Method

2020 Entropy
- David M. Rogers
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Protein Conformational States: A First Principles Bayesian Method.

2020 arXiv: Computational Physics
- David M. Rogers
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Dewar Benzenoids Discovered In Carbon Nanobelts.

2020 Journal of Physical Chemistry Letters
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Dewar Benzenoids Discovered In Carbon Nanobelts

2020 ChemRxiv
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Force Fields for Macromolecular Assemblies Containing Diketopyrrolopyrrole and Thiophene.

2020 Journal of Chemical Theory and Computation
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