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From quantum mechanics to force fields: new methodologies for the classical simulation of complex systems

Jean-Philip Piquemal 1 Kenneth Jordan 2
1 LCT - Laboratoire de chimie théorique
2 PITT - University of Pittsburgh
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https://hal.archives-ouvertes.fr/hal-02127244
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 12:14:19 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM

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Jean-Philip Piquemal, Kenneth Jordan. From quantum mechanics to force fields: new methodologies for the classical simulation of complex systems. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2012, 131 (4), ⟨10.1007/s00214-012-1207-x⟩. ⟨hal-02127244⟩

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