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1 Ergebnisse
1
Acceleration of Solvation Free Energy Calculation via Therm..:
Yu, Zhou
;
Batista, Enrique R
;
Yang, Ping
.
http://arxiv.org/abs/2311.16012. , 2023
Link:
http://arxiv.org/abs/2311.16012
RT Journal T1
Acceleration of Solvation Free Energy Calculation via Thermodynamic Integration Coupled with Gaussian Process Regression and Improved Gelman-Rubin Convergence Diagnostics
UL https://suche.suub.uni-bremen.de/peid=base-ftarxivpreprints:oai:arXiv.org:2311.16012&Exemplar=1&LAN=DE A1 Yu, Zhou A1 Batista, Enrique R A1 Yang, Ping A1 Perez, Danny YR 2023 K1 Condensed Matter - Mesoscale and Nanoscale Physics K1 Physics - Atomic Physics JF http://arxiv.org/abs/2311.16012 LK http://arxiv.org/abs/2311.16012 DO http://arxiv.org/abs/2311.16012 SF ELIB - SuUB Bremen
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