Biswajit Santra - Dissemin

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All papers authored by Biswajit Santra

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2021 Hsin-Yu Ko

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, Biswajit Santra

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, Robert A. DiStasio

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Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and Isobaric–Isothermal Ensembles

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2020 Hsin-Yu Ko

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, Junteng Jia, Biswajit Santra

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, Xifan Wu, Roberto Car, Robert A. DiStasio Jr.

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Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance

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This paper was not found in any repository, but could be made available legally by the author.

2019 Hsin-Yu Ko

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, Linfeng Zhang

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, Biswajit Santra

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, Han Wang

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, Robert A. DiStasio Jr

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Isotope effects in liquid water via deep potential molecular dynamics

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This paper was not found in any repository, but could be made available legally by the author.

2018 Biswajit Santra

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, Hsin-Yu Ko, Yao-Wen Yeh, Fausto Martelli

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, Igor Kaganovich, Yevgeny Raitses, Roberto Car

Root-Growth of Boron Nitride Nanotubes: Experiments and Ab Initio Simulations

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This paper is made freely available by the publisher.

2017 P. Giannozzi

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, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas and 35 other authors

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