E-LIB Suche - Ergebnisse für: Zaverkin, Viktor

1

Uncertainty-biased molecular dynamics for learning uniforml..:

Zaverkin, Viktor ; Holzmüller, David ; Christiansen, Henrik...
npj Computational Materials. 10 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

2

Performance of two complementary machine-learned potentials..:

Gubaev, Konstantin ; Zaverkin, Viktor ; Srinivasan, Prashanth...
npj Computational Materials. 9 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

3

Transfer learning for chemically accurate interatomic neura..:

Zaverkin, Viktor ; Holzmüller, David ; Bonfirraro, Luca.
Physical Chemistry Chemical Physics. 25 (2023) 7 - p. 5383-5396 , 2023

Link: https://doi.org/10.1039/..

4

Exploring chemical and conformational spaces by batch mode ..:

Zaverkin, Viktor ; Holzmüller, David ; Steinwart, Ingo.
Digital Discovery. 1 (2022) 5 - p. 605-620 , 2022

Link: https://doi.org/10.1039/..

5

Predicting properties of periodic systems from cluster data..:

Zaverkin, Viktor ; Holzmüller, David ; Schuldt, Robin.
The Journal of Chemical Physics. 156 (2022) 11 - p. , 2022

Link: https://doi.org/10.1063/..

6

Neural-network assisted study of nitrogen atom dynamics on ..:

Zaverkin, Viktor ; Molpeceres, Germán ; Kästner, Johannes
Monthly Notices of the Royal Astronomical Society. 510 (2021) 2 - p. 3063-3070 , 2021

Link: https://doi.org/10.1093/..

7

Fast and Sample-Efficient Interatomic Neural Network Potent..:

Zaverkin, Viktor ; Holzmüller, David ; Steinwart, Ingo.
Journal of Chemical Theory and Computation. 17 (2021) 10 - p. 6658-6670 , 2021

Link: https://doi.org/10.1021/..

8

Thermally Averaged Magnetic Anisotropy Tensors via Machine ..:

Zaverkin, Viktor ; Netz, Julia ; Zills, Fabian..
Journal of Chemical Theory and Computation. 18 (2021) 1 - p. 1-12 , 2021

Link: https://doi.org/10.1021/..

9

Exploration of transferable and uniformly accurate neural n..:

Zaverkin, Viktor ; Kästner, Johannes
Machine Learning: Science and Technology. 2 (2021) 3 - p. 035009 , 2021

Link: https://doi.org/10.1088/..

10

Neural-network assisted study of nitrogen atom dynamics on ..:

Molpeceres, Germán ; Zaverkin, Viktor ; Kästner, Johannes
Monthly Notices of the Royal Astronomical Society. 499 (2020) 1 - p. 1373-1384 , 2020

Link: https://doi.org/10.1093/..

11

Thermally Averaged Magnetic Anisotropy Tensors via Machine ..:

Zaverkin, Viktor ; Netz, Julia ; Zills, Fabian..
http://arxiv.org/abs/2312.01415. , 2023

Link: http://arxiv.org/abs/231..

12

Uncertainty-biased molecular dynamics for learning uniforml..:

Zaverkin, Viktor ; Holzmüller, David ; Christiansen, Henrik...
http://arxiv.org/abs/2312.01416. , 2023

Link: http://arxiv.org/abs/231..

13

Reaction dynamics on amorphous solid water surfaces using i..:

Molpeceres, Germán ; Zaverkin, Viktor ; Furuya, Kenji..
http://arxiv.org/abs/2303.03059. , 2023

Link: http://arxiv.org/abs/230..

14

Performance of two complementary machine-learned potentials..:

Gubaev, Konstantin ; Zaverkin, Viktor ; Srinivasan, Prashanth...
info:eu-repo/grantAgreement/EC/H2020/865855. , 2023

Link: https://doi.org/10.18419..

15

Adaptive Message Passing: A General Framework to Mitigate O..:

Errica, Federico ; Christiansen, Henrik ; Zaverkin, Viktor...
http://arxiv.org/abs/2312.16560. , 2023

Link: http://arxiv.org/abs/231..