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The Journal of Chemical Physics
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April 9, 2021
Machine learning of free energies in chemical compound space using ensemble representations: Reaching experimental uncertainty for solvation
Jan Weinreich, Nicholas J Browning, O Anatole von Lilienfeld
Digital Discovery
|
October 14, 2024
Cost-informed Bayesian reaction optimization
Alexandre A Schoepfer, Jan Weinreich, Ruben Laplaza, et al.
The Journal of Chemical Physics
|
July 15, 2022
Ab initio machine learning of phase space averages
Jan Weinreich, Dominik Lemm, Guido Falk von Rudorff, et al.
Journal of Chemical Theory and Computation
|
November 27, 2023
Evolutionary Monte Carlo of QM Properties in Chemical Space: Electrolyte Design
Konstantin Karandashev, Jan Weinreich, Stefan Heinen, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
April 9, 2021
Machine learning of free energies in chemical compound space using ensemble representations: Reaching experimental uncertainty for solvation
Jan Weinreich, Nicholas J Browning, O Anatole von Lilienfeld
Digital Discovery
|
October 14, 2024
Cost-informed Bayesian reaction optimization
Alexandre A Schoepfer, Jan Weinreich, Ruben Laplaza, et al.
The Journal of Chemical Physics
|
July 15, 2022
Ab initio machine learning of phase space averages
Jan Weinreich, Dominik Lemm, Guido Falk von Rudorff, et al.
Journal of Chemical Theory and Computation
|
November 27, 2023
Evolutionary Monte Carlo of QM Properties in Chemical Space: Electrolyte Design
Konstantin Karandashev, Jan Weinreich, Stefan Heinen, et al.
Page
of 1