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Akshaya Das

Affiliations: 
Chemistry University of California, Berkeley, Berkeley, CA, United States 
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Parents

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Markus Meuwly grad student University of Basel
Teresa Head-Gordon post-doc 2018- UC Berkeley

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Publications

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Aldossary A, Gimferrer M, Mao Y, et al. (2023) Force Decomposition Analysis: A Method to Decompose Intermolecular Forces into Physically Relevant Component Contributions. The Journal of Physical Chemistry. A
Haghighatlari M, Li J, Guan X, et al. (2022) NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces. Digital Discovery. 1: 333-343
Guan X, Das A, Stein CJ, et al. (2022) A benchmark dataset for Hydrogen Combustion. Scientific Data. 9: 215
Das AK, Liu M, Head-Gordon T. (2022) Development of a Many-Body Force Field for Aqueous Alkali Metal and Halogen Ions: An Energy Decomposition Analysis Guided Approach. Journal of Chemical Theory and Computation
Mondal P, Cazade PA, Das AK, et al. (2021) Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine Trimer. The Journal of Physical Chemistry. B
Liu M, Das AK, Lincoff J, et al. (2021) Configurational Entropy of Folded Proteins and Its Importance for Intrinsically Disordered Proteins. International Journal of Molecular Sciences. 22
Mao Y, Loipersberger M, Horn PR, et al. (2021) From Intermolecular Interaction Energies and Observable Shifts to Component Contributions and Back Again: A Tale of Variational Energy Decomposition Analysis. Annual Review of Physical Chemistry
Leven I, Hao H, Das AK, et al. (2020) A Reactive Force Field with Coarse-Grained Electrons for Liquid Water. The Journal of Physical Chemistry Letters. 9240-9247
Loipersberger M, Lee J, Mao Y, et al. (2019) Energy Decomposition Analysis for Interactions of Radicals: Theory and Implementation at the MP2 Level with Application to Hydration of Halogenated Benzene Cations and Complexes between CO and Pyridine and Imidazole. The Journal of Physical Chemistry. A
Das AK, Urban L, Leven I, et al. (2019) Development of an Advanced Force Field for Water using Variational Energy Decomposition Analysis. Journal of Chemical Theory and Computation
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