Machine learning accurate exchange and correlation functionals of the electronic density S Dick, M Fernandez-Serra Nature communications 11 (1), 3509, 2020 | 170 | 2020 |
Highly accurate and constrained density functional obtained with differentiable programming S Dick, M Fernandez-Serra Physical Review B 104 (16), L161109, 2021 | 34* | 2021 |
Learning from the density to correct total energy and forces in first principle simulations S Dick, M Fernandez-Serra The Journal of chemical physics 151 (14), 144102, 2019 | 33 | 2019 |
Taming multiple binding poses in alchemical binding free energy prediction: the β-cyclodextrin host–guest SAMPL9 blinded challenge S Khuttan, S Azimi, JZ Wu, S Dick, C Wu, H Xu, E Gallicchio Physical Chemistry Chemical Physics 25 (36), 24364-24376, 2023 | 9 | 2023 |
Improving Density Functional Theory with Machine Learning S Dick State University of New York at Stony Brook, 2021 | | 2021 |
Machine learned exchange and correlation functionals in density functional theory: progress and applications M Fernandez, S Dick APS March Meeting Abstracts 2021, L18. 003, 2021 | | 2021 |
DFT Characterization of Solvated NaCl Potentials of Mean Force and Energetics A Wills, S Dick, M Fernandez Serra APS March Meeting Abstracts 2019, K16. 004, 2019 | | 2019 |
Analysis of short range entangled topological phases protected by time-reversal symmetry S Dick State University of New York at Stony Brook, 2015 | | 2015 |
Poster Contents S Dick | | |