E-LIB Suche - Ergebnisse für: Dellago, Christoph

1

Enhanced Sampling of Configuration and Path Space in a Gene..:

Falkner, Sebastian ; Coretti, Alessandro ; Dellago, Christoph
Physical Review Letters. 132 (2024) 12 - p. , 2024

2

Comparing machine learning potentials for water: Kernel-bas..:

Montero de Hijes, Pablo ; Dellago, Christoph ; Jinnouchi, Ryosuke..
The Journal of Chemical Physics. 160 (2024) 11 - p. , 2024

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

3

Conditioning Boltzmann generators for rare event sampling:

Falkner, Sebastian ; Coretti, Alessandro ; Romano, Salvatore..
Machine Learning: Science and Technology. 4 (2023) 3 - p. 035050 , 2023

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

4

Remembering the Work of Phillip L. Geissler: A Coda to His ..:

Bowman, Gregory R. ; Cox, Stephen J. ; Dellago, Christoph...
Annual Review of Physical Chemistry. 74 (2023) 1 - p. 1-27 , 2023

Link: https://doi.org/10.1146/..

5

High-density liquid (HDL) adsorption at the supercooled wat..:

Gorfer, Alexander ; Dellago, Christoph ; Sega, Marcello
The Journal of Chemical Physics. 158 (2023) 5 - p. , 2023

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

6

Optimizing the architecture of Behler–Parrinello neural net..:

Kývala, Lukáš ; Dellago, Christoph
The Journal of Chemical Physics. 159 (2023) 9 - p. , 2023

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

7

Artificial intelligence for molecular mechanism discovery:

Jung, Hendrik ; Covino, Roberto ; Arjun, A....
Biophysical Journal. 122 (2023) 3 - p. 281a-282a , 2023

Link: https://doi.org/10.1016/..

8

Nonadiabatic Forward Flux Sampling for Excited-State Rare E..:

Reiner, Madlen Maria ; Bachmair, Brigitta ; Tiefenbacher, Maximilian Xaver...
Journal of Chemical Theory and Computation. 19 (2023) 6 - p. 1657-1671 , 2023

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

9

Molecular Hessian matrices from a machine learning random f..:

Domenichini, Giorgio ; Dellago, Christoph
The Journal of Chemical Physics. 159 (2023) 19 - p. , 2023

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

10

Machine-guided path sampling to discover mechanisms of mole..:

Jung, Hendrik ; Covino, Roberto ; Arjun, A....
Nature Computational Science. 3 (2023) 4 - p. 334-345 , 2023

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

11

Diffusion and Coalescence of Phosphorene Monovacancies Stud..:

Kývala, Lukáš ; Angeletti, Andrea ; Franchini, Cesare.
The Journal of Physical Chemistry C. 127 (2023) 49 - p. 23743-23751 , 2023

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

12

The first 30 years of computer simulation:

Dellago, Christoph
Physics Today. 74 (2021) 10 - p. 62-63 , 2021

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

13

The microscopic mechanism of bulk melting of ice:

Moritz, Clemens ; Geissler, Phillip L. ; Dellago, Christoph
The Journal of Chemical Physics. 155 (2021) 12 - p. , 2021

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

14

Elastic forces drive nonequilibrium pattern formation in a ..:

Frechette, Layne B. ; Dellago, Christoph ; Geissler, Phillip L.
Proceedings of the National Academy of Sciences. 118 (2021) 52 - p. , 2021

Link: https://doi.org/10.1073/..

15

Improved description of atomic environments using low-cost ..:

Bircher, Martin P ; Singraber, Andreas ; Dellago, Christoph
Machine Learning: Science and Technology. 2 (2021) 3 - p. 035026 , 2021

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