E-LIB Suche - Ergebnisse für: Kresse, Georg

1

Toward Large-Scale AFQMC Calculations: Large Time Step Auxi..:

Sukurma, Zoran ; Schlipf, Martin ; Humer, Moritz..
Journal of Chemical Theory and Computation. 20 (2024) 10 - p. 4205-4217 , 2024

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

2

Layer-by-layer phase transformation in Ti3O5 revealed by ma..:

Liu, Mingfeng ; Wang, Jiantao ; Hu, Junwei...
Nature Communications. 15 (2024) 1 - p. , 2024

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

3

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/..

4

Machine learning-aided first-principles calculations of red..:

Jinnouchi, Ryosuke ; Karsai, Ferenc ; Kresse, Georg
npj Computational Materials. 10 (2024) 1 - p. , 2024

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

5

Temperature‐Dependent Anharmonic Phonons in Quantum Paraele..:

Ranalli, Luigi ; Verdi, Carla ; Monacelli, Lorenzo...
Advanced Quantum Technologies. 6 (2023) 4 - p. , 2023

Link: https://doi.org/10.1002/..

6

Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Met..:

Sukurma, Zoran ; Schlipf, Martin ; Humer, Moritz..
Journal of Chemical Theory and Computation. 19 (2023) 15 - p. 4921-4934 , 2023

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

7

Front Cover: Temperature‐Dependent Anharmonic Phonons in Qu..:

Ranalli, Luigi ; Verdi, Carla ; Monacelli, Lorenzo...
Advanced Quantum Technologies. 6 (2023) 4 - p. , 2023

Link: https://doi.org/10.1002/..

8

Phaseless auxiliary field quantum Monte Carlo with projecto..:

Taheridehkordi, Amir ; Schlipf, Martin ; Sukurma, Zoran...
The Journal of Chemical Physics. 159 (2023) 4 - p. , 2023

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

9

Machine Learning Density Functionals from the Random-Phase ..:

Riemelmoser, Stefan ; Verdi, Carla ; Kaltak, Merzuk.
Journal of Chemical Theory and Computation. 19 (2023) 20 - p. 7287-7299 , 2023

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

10

Combining Machine Learning and Many-Body Calculations: Cove..:

Liu, Peitao ; Wang, Jiantao ; Avargues, Noah...
Physical Review Letters. 130 (2023) 7 - p. , 2023

Link: https://doi.org/10.1103/..

11

Correction: New insights into the 1D carbon chain through t..:

Ramberger, Benjamin ; Kresse, Georg
Physical Chemistry Chemical Physics. 25 (2023) 38 - p. 26396-26396 , 2023

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

12

Quantum paraelectricity and structural phase transitions in..:

Verdi, Carla ; Ranalli, Luigi ; Franchini, Cesare.
Physical Review Materials. 7 (2023) 3 - p. , 2023

Link: https://doi.org/10.1103/..

13

How to verify the precision of density-functional-theory im..:

Bosoni, Emanuele ; Beal, Louis ; Bercx, Marnik...
Nature Reviews Physics. 6 (2023) 1 - p. 45-58 , 2023

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

14

Proton Transport in Perfluorinated Ionomer Simulated by Mac..:

Jinnouchi, Ryosuke ; Minami, Saori ; Karsai, Ferenc..
The Journal of Physical Chemistry Letters. 14 (2023) 14 - p. 3581-3588 , 2023

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

15

Approaching the basis-set limit of the dRPA correlation ene..:

Humer, Moritz ; Harding, Michael E. ; Schlipf, Martin...
The Journal of Chemical Physics. 157 (2022) 19 - p. , 2022

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