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86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy.

D. Lu, H. Wang, M. Chen, J. Liu, L. Lin, R. Car, W. E, W. Jia, and L. Zhang. CoRR, (2020)

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Car Hire

Roberto Fornari

Roberto Cruccolini

Roberto Sala

Roberto Minakawa

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86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy.D. Lu, H. Wang, M. Chen, J. Liu, L. Lin, R. Car, W. E, W. Jia, and L. Zhang. CoRR, (2020)Density Functional Theory of the Electrical Conductivity of Molecular DevicesK. Burke, R. Car, and R. Gebauer. Phys. Rev. Lett., 94 (14): 146803-- (April 2005)Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics.L. Zhang, J. Han, H. Wang, R. Car, and W. E. CoRR, (2017)Fernbach award.R. Car, and M. Parrinello. SC, ACM, (2009)Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning.W. Jia, H. Wang, M. Chen, D. Lu, L. Lin, R. Car, W. E, and L. Zhang. SC, page 5. IEEE/ACM, (2020)Active Learning of Uniformly Accurate Inter-atomic Potentials for Materials Simulation.L. Zhang, D. Lin, H. Wang, R. Car, and W. E. CoRR, (2018)Protonation-induced stereoisomerism in nicotine: Conformational studies using classical (AMBER) and ab initio (Car-Parrinello) molecular dynamics.P. Hammond, Y. Wu, R. Harris, T. Minehardt, R. Car, and J. Schmitt. J. Comput. Aided Mol. Des., 19 (1): 1-15 (2005)QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materialsP. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. Chiarotti, M. Cococcioni, I. Dabo and 23 other author(s). J. Phys.: Cond. Matt., (2009)End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems.L. Zhang, J. Han, H. Wang, W. Saidi, R. Car, and W. E. NeurIPS, page 4441-4451. (2018)86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy.D. Lu, H. Wang, M. Chen, L. Lin, R. Car, W. E, W. Jia, and L. Zhang. Comput. Phys. Commun., (2021)

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Disambiguation of "Car, Roberto"

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86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy.

Please choose a person to relate this publication to

Car Hire

Roberto Fornari

Roberto Cruccolini

Roberto Sala

Roberto Minakawa

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Car, Roberto"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML 86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy.

Please choose a person to relate this publication to

Car Hire

Roberto Fornari

Roberto Cruccolini

Roberto Sala

Roberto Minakawa

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
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86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy.