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Title: A recipe for free-energy functionals of polarizable molecular fluids

Journal Article · · J. Chem. Phys.
DOI:https://doi.org/10.1063/1.4870653· OSTI ID:1161930
; ;

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Energy Materials Center at Cornell (EMC2)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
SC0001086
OSTI ID:
1161930
Journal Information:
J. Chem. Phys., Vol. 140(14); Related Information: Emc2 partners with Cornell University (lead); Lawrence Berkeley National Laboratory
Country of Publication:
United States
Language:
English

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Cited By (8)

Simulation of Many-Electron Systems That Exchange Matter with the Environment: Simulation of Many-Electron Systems That Exchange Matter with the Environment journal August 2018
Continuum embeddings in condensed-matter simulations journal October 2018
Spicing up continuum solvation models with SaLSA: The spherically averaged liquid susceptibility ansatz journal February 2015
The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model journal February 2015
Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry journal March 2017
Improving accuracy of electrochemical capacitance and solvation energetics in first-principles calculations journal April 2018
Grand canonical electronic density-functional theory: algorithms and applications to electrochemistry text January 2017
Solvent-Aware Interfaces in Continuum Solvation journal January 2019

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