User contributions for Karsai
16 September 2019
- 09:3609:36, 16 September 2019 diff hist 0 Nucleophile Substitution CH3Cl - Standard MD →Time evolution of distance
- 09:3509:35, 16 September 2019 diff hist 0 N File:Histogram 600K.jpg No edit summary current
- 09:2709:27, 16 September 2019 diff hist +258 Nucleophile Substitution CH3Cl - Standard MD →Time evolution of distance
12 September 2019
- 10:5410:54, 12 September 2019 diff hist −1 Nucleophile Substitution CH3Cl - Standard MD →Time evolution of distance
6 September 2019
- 15:1215:12, 6 September 2019 diff hist 0 Nucleophile Substitution CH3Cl - Standard MD →{{TAG|INCAR}}
5 September 2019
- 13:2213:22, 5 September 2019 diff hist +50 N Machine learning force fields: Theory Karsai moved page Machine learning force fields: Theory to Machine learning force field: Theory current
- 13:2113:21, 5 September 2019 diff hist +51 N On-the-fly machine learning force field generation using Bayesian linear regression Karsai moved page On-the-fly machine learning force field generation using Bayesian linear regression to Machine learning force fields: Theory current
4 September 2019
- 10:3610:36, 4 September 2019 diff hist +71 Liquid Si - MLFF →Obtaining a more accurate force field
- 10:2810:28, 4 September 2019 diff hist −21 Liquid Si - MLFF →Reference energy
- 10:2710:27, 4 September 2019 diff hist −218 Liquid Si - MLFF →{{TAG|INCAR}}
- 10:2610:26, 4 September 2019 diff hist −28 Liquid Si - MLFF →{{TAG|INCAR}}
- 10:2010:20, 4 September 2019 diff hist −181 Liquid Si - MLFF →{{TAG|INCAR}}
2 September 2019
- 10:2710:27, 2 September 2019 diff hist −3 ML SION2 No edit summary
16 August 2019
- 08:3208:32, 16 August 2019 diff hist −65 Template:Machine learning force field - Tutorial No edit summary current
- 08:3108:31, 16 August 2019 diff hist +163 Template:Machine learning force field - Tutorial No edit summary
12 August 2019
- 11:5611:56, 12 August 2019 diff hist −12 Interface pinning calculations No edit summary
- 11:3111:31, 12 August 2019 diff hist +7 Interface pinning calculations No edit summary
9 August 2019
- 22:5322:53, 9 August 2019 diff hist +4 ML CTIFOR No edit summary
8 August 2019
- 09:3509:35, 8 August 2019 diff hist +1 POTIM No edit summary
7 August 2019
- 17:2817:28, 7 August 2019 diff hist −68 LATTICE CONSTRAINTS No edit summary
- 12:1412:14, 7 August 2019 diff hist 0 PSTRESS No edit summary
- 12:1412:14, 7 August 2019 diff hist +206 PSTRESS No edit summary
5 August 2019
- 08:0408:04, 5 August 2019 diff hist 0 SYMPREC No edit summary
1 August 2019
- 10:4710:47, 1 August 2019 diff hist +334 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
- 10:3610:36, 1 August 2019 diff hist −15 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
31 July 2019
- 11:2911:29, 31 July 2019 diff hist +82 Liquid Si - MLFF →Download
- 11:2711:27, 31 July 2019 diff hist +1 Liquid Si - MLFF →{{TAG|INCAR}}
- 11:2111:21, 31 July 2019 diff hist +80 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
- 11:2111:21, 31 July 2019 diff hist +659 Liquid Si - MLFF →Production runs using the optimized parameters
- 11:1311:13, 31 July 2019 diff hist +9 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
- 11:1311:13, 31 July 2019 diff hist +3,053 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
- 11:0111:01, 31 July 2019 diff hist 0 N File:Error vs eweight.jpg No edit summary current
- 10:4710:47, 31 July 2019 diff hist +566 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
- 10:2110:21, 31 July 2019 diff hist +2,512 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
- 09:1009:10, 31 July 2019 diff hist +173 Liquid Si - MLFF No edit summary
30 July 2019
- 15:2915:29, 30 July 2019 diff hist +1,153 Liquid Si - MLFF →Obtaining more accurate force field
- 15:1015:10, 30 July 2019 diff hist +1 Liquid Si - MLFF →Obtaining more accurate force field
- 15:0915:09, 30 July 2019 diff hist +1,508 Liquid Si - MLFF →Obtaining more accurate force field
- 14:2814:28, 30 July 2019 diff hist +35 Liquid Si - MLFF No edit summary
- 11:4311:43, 30 July 2019 diff hist +744 Liquid Si - MLFF →Obtaining more accurate force field
- 11:3811:38, 30 July 2019 diff hist +36 Liquid Si - MLFF →Obtaining more accurate force field
- 11:3711:37, 30 July 2019 diff hist +1,185 Liquid Si - MLFF →Obtaining more accurate force field
- 10:5210:52, 30 July 2019 diff hist +1,809 Liquid Si - MLFF →Obtaining more accurate force field
- 10:1710:17, 30 July 2019 diff hist +129 Liquid Si - MLFF →Creating more accurate force field
- 10:1410:14, 30 July 2019 diff hist −3 Liquid Si - MLFF →Learning of more accurate force field
- 09:1409:14, 30 July 2019 diff hist −13 Liquid Si - MLFF No edit summary
- 09:1309:13, 30 July 2019 diff hist +572 Liquid Si - MLFF →{{TAG|INCAR}}
26 July 2019
- 15:1915:19, 26 July 2019 diff hist −4 Liquid Si - MLFF →Learning of more accurate force field
- 15:1815:18, 26 July 2019 diff hist +170 Liquid Si - MLFF →Learning of more accurate force field
- 14:4114:41, 26 July 2019 diff hist 0 N File:PC MLFF vs AI 3ps.jpg No edit summary current
