Ralf Meyer
Ralf Meyer
PostDoc, MIT
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Cited by
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Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
Machine learning approaches toward orbital-free density functional theory: Simultaneous training on the kinetic energy density functional and its functional derivative
R Meyer, M Weichselbaum, AW Hauser
Journal of chemical theory and computation 16 (9), 5685-5694, 2020
Geometry optimization using Gaussian process regression in internal coordinate systems
R Meyer, AW Hauser
The Journal of chemical physics 152 (8), 2020
Stability of core–shell nanoparticles for catalysis at elevated temperatures: Structural inversion in the Ni–Au system observed at atomic resolution
M Schnedlitz, M Lasserus, R Meyer, D Knez, F Hofer, WE Ernst, ...
Chemistry of Materials 30 (3), 1113-1120, 2018
Femtosecond photoexcitation dynamics inside a quantum solvent
B Thaler, S Ranftl, P Heim, S Cesnik, L Treiber, R Meyer, AW Hauser, ...
Nature communications 9 (1), 4006, 2018
Machine learning in computational chemistry: An evaluation of method performance for nudged elastic band calculations
R Meyer, KS Schmuck, AW Hauser
Journal of Chemical Theory and Computation 15 (11), 6513-6523, 2019
Vibronic transitions in the alkali-metal (Li, Na, K, Rb)–alkaline-earth-metal (Ca, Sr) series: A systematic analysis of de-excitation mechanisms based on the graphical mapping …
JV Pototschnig, R Meyer, AW Hauser, WE Ernst
Physical Review A 95 (2), 022501, 2017
A transferable recommender approach for selecting the best density functional approximations in chemical discovery
C Duan, A Nandy, R Meyer, N Arunachalam, HJ Kulik
Nature Computational Science 3 (1), 38-47, 2023
Chiral separation via molecular sieving: a computational screening of suitable functionalizations for nanoporous graphene
SM Fruehwirth, R Meyer, AW Hauser
ChemPhysChem 19 (18), 2331-2339, 2018
Ligand additivity relationships enable efficient exploration of transition metal chemical space
N Arunachalam, S Gugler, MG Taylor, C Duan, A Nandy, JP Janet, ...
The Journal of Chemical Physics 157 (18), 2022
Conservation of Hot Thermal Spin–Orbit Population of 2P Atoms in a Cold Quantum Fluid Environment
B Thaler, R Meyer, P Heim, S Ranftl, JV Pototschnig, AW Hauser, M Koch, ...
The Journal of Physical Chemistry A 123 (18), 3977-3984, 2019
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