User contributions for Jona
21 August 2023
- 13:1413:14, 21 August 2023 diff hist +67 ISIF No edit summary
10 August 2023
- 09:4109:41, 10 August 2023 diff hist +43 ISIF No edit summary
- 09:3309:33, 10 August 2023 diff hist −44 ISIF No edit summary
- 09:3209:32, 10 August 2023 diff hist +44 ISIF No edit summary
13 July 2023
- 09:3409:34, 13 July 2023 diff hist +15 Nose-Hoover thermostat No edit summary current Tag: Visual edit
6 July 2023
- 18:1818:18, 6 July 2023 diff hist 0 EFIELD PEAD No edit summary current
- 18:1718:17, 6 July 2023 diff hist +8 EFIELD PEAD No edit summary
- 18:1718:17, 6 July 2023 diff hist +6 EFIELD PEAD No edit summary
- 18:1518:15, 6 July 2023 diff hist +148 EFIELD PEAD No edit summary
20 June 2023
- 13:3113:31, 20 June 2023 diff hist +1 Machine learning force field: Theory →Solution via regularized SVD
- 13:3013:30, 20 June 2023 diff hist +5 Machine learning force field: Theory →Solution via regularized SVD
- 13:3013:30, 20 June 2023 diff hist +8 Machine learning force field: Theory →Solution via regularized SVD
- 13:2913:29, 20 June 2023 diff hist +5 Machine learning force field: Theory →Solution via regularized SVD
- 10:1910:19, 20 June 2023 diff hist 0 Machine learning force field: Theory →Solution via regularized SVD
- 10:1810:18, 20 June 2023 diff hist −6 Machine learning force field: Theory →Solution via regularized SVD
- 10:1410:14, 20 June 2023 diff hist +801 Machine learning force field: Theory →Regression
5 May 2023
- 07:2107:21, 5 May 2023 diff hist +4 Best practices for machine-learned force fields →Best practice training modes
- 07:2107:21, 5 May 2023 diff hist +510 Best practices for machine-learned force fields →Best practice training modes
3 May 2023
- 10:1810:18, 3 May 2023 diff hist +1 Category:Ensembles No edit summary
- 06:4406:44, 3 May 2023 diff hist +12 Best practices for machine-learned force fields No edit summary
2 May 2023
- 06:1906:19, 2 May 2023 diff hist −14 Best practices for machine-learned force fields →Tuning on-the-fly parameters
- 06:1806:18, 2 May 2023 diff hist +37 Best practices for machine-learned force fields →Accuracy
- 06:1706:17, 2 May 2023 diff hist 0 Best practices for machine-learned force fields →Best practice training modes
- 06:1106:11, 2 May 2023 diff hist −2 Best practices for machine-learned force fields →Best practice training modes
- 06:1106:11, 2 May 2023 diff hist +10 Best practices for machine-learned force fields →Best practice training modes
- 06:1006:10, 2 May 2023 diff hist −2 Best practices for machine-learned force fields →Best practice training modes
- 06:0806:08, 2 May 2023 diff hist −1 Best practices for machine-learned force fields →Best practice training modes
- 06:0806:08, 2 May 2023 diff hist −16 Best practices for machine-learned force fields →Best practice training modes
- 06:0706:07, 2 May 2023 diff hist 0 Best practices for machine-learned force fields →Accurate force fields
29 March 2023
- 07:2207:22, 29 March 2023 diff hist +3,230 Best practices for machine-learned force fields No edit summary
- 07:0907:09, 29 March 2023 diff hist +49 Best practices for machine-learned force fields No edit summary
- 07:0307:03, 29 March 2023 diff hist +140 Best practices for machine-learned force fields No edit summary
- 07:0007:00, 29 March 2023 diff hist +8 Best practices for machine-learned force fields No edit summary
- 06:5806:58, 29 March 2023 diff hist +8 Best practices for machine-learned force fields No edit summary
- 06:5006:50, 29 March 2023 diff hist +1,119 Best practices for machine-learned force fields No edit summary
- 06:4206:42, 29 March 2023 diff hist +20 Best practices for machine-learned force fields No edit summary
- 06:3906:39, 29 March 2023 diff hist +2 Best practices for machine-learned force fields No edit summary
- 06:3806:38, 29 March 2023 diff hist 0 Best practices for machine-learned force fields No edit summary
- 06:3806:38, 29 March 2023 diff hist 0 Best practices for machine-learned force fields No edit summary
- 06:3706:37, 29 March 2023 diff hist 0 Best practices for machine-learned force fields No edit summary
- 06:3606:36, 29 March 2023 diff hist +671 Best practices for machine-learned force fields No edit summary
- 06:2806:28, 29 March 2023 diff hist +358 Best practices for machine-learned force fields No edit summary
- 06:1606:16, 29 March 2023 diff hist −2,110 Best practices for machine-learned force fields No edit summary
- 06:1106:11, 29 March 2023 diff hist −3,497 Best practices for machine-learned force fields No edit summary
22 February 2023
- 16:1516:15, 22 February 2023 diff hist −18 ML MODE No edit summary
- 16:1516:15, 22 February 2023 diff hist +1 ML LFAST No edit summary
- 16:1416:14, 22 February 2023 diff hist +1 ML LFAST No edit summary
- 16:1416:14, 22 February 2023 diff hist −21 ML LFAST No edit summary
2 November 2022
- 16:3116:31, 2 November 2022 diff hist −18 KPOINTS OPT No edit summary
- 16:3116:31, 2 November 2022 diff hist +41 KPOINTS OPT No edit summary Tag: Visual edit: Switched
24 October 2022
- 15:2615:26, 24 October 2022 diff hist +1 ML REG No edit summary Tag: Visual edit: Switched
12 August 2022
- 20:3620:36, 12 August 2022 diff hist −353 Category:Ensembles No edit summary
- 20:3520:35, 12 August 2022 diff hist −143 Category:Ensembles No edit summary
- 19:2919:29, 12 August 2022 diff hist +3 Category:Ensembles No edit summary
- 19:1819:18, 12 August 2022 diff hist +1,565 Category:Ensembles No edit summary
- 18:5318:53, 12 August 2022 diff hist +9 Category:Ensembles No edit summary
- 18:5318:53, 12 August 2022 diff hist +12 Category:Ensembles No edit summary
- 18:5018:50, 12 August 2022 diff hist +16 Category:Ensembles No edit summary
- 18:4718:47, 12 August 2022 diff hist +86 Category:Ensembles No edit summary
- 18:4518:45, 12 August 2022 diff hist +6 Category:Ensembles No edit summary
- 17:5617:56, 12 August 2022 diff hist +206 Category:Ensembles No edit summary
- 17:5017:50, 12 August 2022 diff hist +1,527 Category:Ensembles No edit summary
- 17:3417:34, 12 August 2022 diff hist +11 Category:Ensembles No edit summary
- 17:3217:32, 12 August 2022 diff hist +370 Category:Ensembles No edit summary
- 17:2417:24, 12 August 2022 diff hist +459 Category:Ensembles No edit summary
- 17:1417:14, 12 August 2022 diff hist +174 Category:Ensembles No edit summary
- 17:1117:11, 12 August 2022 diff hist +850 Category:Ensembles No edit summary
- 16:1816:18, 12 August 2022 diff hist +145 Category:Ensembles No edit summary
- 16:1316:13, 12 August 2022 diff hist +446 Category:Ensembles No edit summary
- 14:1114:11, 12 August 2022 diff hist +464 Category:Ensembles No edit summary
- 13:5513:55, 12 August 2022 diff hist 0 Category:Ensembles No edit summary
- 13:5413:54, 12 August 2022 diff hist +2,524 N Category:Ensembles Created page with "=== Introduction === A central concept of statistical mechanics is the ensemble. An ensemble consists of a large number of virtual copies of the system of int..."
- 10:5510:55, 12 August 2022 diff hist +88 NpT ensemble No edit summary
11 August 2022
- 15:3815:38, 11 August 2022 diff hist 0 NpH ensemble No edit summary
- 15:2915:29, 11 August 2022 diff hist +1 NVT ensemble No edit summary
- 15:2815:28, 11 August 2022 diff hist +243 NVT ensemble No edit summary
- 15:2715:27, 11 August 2022 diff hist +50 NpH ensemble No edit summary
- 15:2615:26, 11 August 2022 diff hist +61 NpH ensemble No edit summary
- 15:1615:16, 11 August 2022 diff hist +62 NpT ensemble No edit summary
- 15:1315:13, 11 August 2022 diff hist +29 NVT ensemble No edit summary
- 15:1215:12, 11 August 2022 diff hist +30 NVE ensemble No edit summary
- 13:3113:31, 11 August 2022 diff hist +35 NpH ensemble No edit summary
- 13:3013:30, 11 August 2022 diff hist −15 NpH ensemble No edit summary
- 13:2913:29, 11 August 2022 diff hist +289 NpH ensemble No edit summary
- 13:2313:23, 11 August 2022 diff hist +2 NpH ensemble No edit summary
- 13:1913:19, 11 August 2022 diff hist −295 NpH ensemble No edit summary
- 13:0713:07, 11 August 2022 diff hist +58 NpT ensemble No edit summary
- 12:3112:31, 11 August 2022 diff hist +3,191 N NpH ensemble Created page with "The NpH ensemble (isoenthalpic–isobaric ensemble) is a statistical ensemble that is used to study material properties under the conditions of a c..."
- 12:2512:25, 11 August 2022 diff hist −4 NpT ensemble No edit summary
- 12:2412:24, 11 August 2022 diff hist −4 NpT ensemble No edit summary
- 08:2708:27, 11 August 2022 diff hist +1 NpT ensemble No edit summary
- 08:2708:27, 11 August 2022 diff hist −1 NpT ensemble No edit summary
- 08:2608:26, 11 August 2022 diff hist +13 NpT ensemble No edit summary
- 08:1408:14, 11 August 2022 diff hist +54 NpT ensemble No edit summary
10 August 2022
- 16:0416:04, 10 August 2022 diff hist +8 Computing the phonon dispersion and DOS No edit summary
- 16:0416:04, 10 August 2022 diff hist +3 Computing the phonon dispersion and DOS No edit summary
- 16:0216:02, 10 August 2022 diff hist +1 Computing the phonon dispersion and DOS No edit summary
- 15:3615:36, 10 August 2022 diff hist −35 Computing the phonon dispersion and DOS No edit summary
- 15:2915:29, 10 August 2022 diff hist −8 Computing the phonon dispersion and DOS No edit summary
- 15:1815:18, 10 August 2022 diff hist +112 Phonons from density-functional-perturbation theory No edit summary