User contributions for Karsai

26 September 2019

• 08:4108:41, 26 September 2019 diff hist −3‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎Calculation
• 08:4108:41, 26 September 2019 diff hist +1‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎Calculation
• 08:4008:40, 26 September 2019 diff hist +108‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎{{TAG|INCAR}}
• 08:4008:40, 26 September 2019 diff hist +1,450‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎Calculation
• 08:2908:29, 26 September 2019 diff hist +268‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎Calculation
• 08:2708:27, 26 September 2019 diff hist 0‎ N File:TimeEvol mMD1 CH3Cl.jpg ‎No edit summary current
• 08:2308:23, 26 September 2019 diff hist +7‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎Calculation
• 08:2108:21, 26 September 2019 diff hist +150‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎Calculation

19 September 2019

• 15:5515:55, 19 September 2019 diff hist +1‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎{{TAG|INCAR}}
• 15:5115:51, 19 September 2019 diff hist +80‎ Molecular dynamics - Tutorial ‎No edit summary
• 15:3915:39, 19 September 2019 diff hist −8‎ Nuclephile Substitution CH3Cl - mMD2 ‎No edit summary
• 15:3915:39, 19 September 2019 diff hist +1,205‎ Nuclephile Substitution CH3Cl - mMD2 ‎No edit summary
• 15:3415:34, 19 September 2019 diff hist +152‎ Nuclephile Substitution CH3Cl - mMD2 ‎No edit summary
• 15:3415:34, 19 September 2019 diff hist +10‎ Nuclephile Substitution CH3Cl - mMD1 ‎No edit summary
• 15:3315:33, 19 September 2019 diff hist +2,073‎ Nuclephile Substitution CH3Cl - mMD2 ‎No edit summary
• 15:3015:30, 19 September 2019 diff hist +335‎ N Nuclephile Substitution CH3Cl - mMD2 ‎ Created page with "{{Template:Molecular dynamics - Tutorial}} == Task == In this example the nucleophile substitution of a Cl^- by another Cl^- in CH₃Cl via meta..."
• 15:2715:27, 19 September 2019 diff hist +1‎ Template:Molecular dynamics - Tutorial ‎No edit summary
• 15:2715:27, 19 September 2019 diff hist +123‎ Template:Molecular dynamics - Tutorial ‎No edit summary
• 13:4913:49, 19 September 2019 diff hist −6‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎{{TAG|INCAR}}
• 11:3711:37, 19 September 2019 diff hist −25‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎Calculation
• 11:3711:37, 19 September 2019 diff hist +25‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎Calculation
• 11:3711:37, 19 September 2019 diff hist +31‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎Calculation
• 11:3611:36, 19 September 2019 diff hist +1,609‎ Nuclephile Substitution CH3Cl - mMD1 ‎No edit summary
• 11:2611:26, 19 September 2019 diff hist +1‎ Nucleophile Substitution CH3Cl - Standard MD ‎ →‎Running the calculation
• 11:2611:26, 19 September 2019 diff hist +146‎ Nucleophile Substitution CH3Cl - Standard MD ‎ →‎Running the calculation
• 11:2211:22, 19 September 2019 diff hist −603‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎{{TAG|ICONST}}
• 11:2111:21, 19 September 2019 diff hist +960‎ Nuclephile Substitution CH3Cl - mMD1 ‎No edit summary
• 11:1711:17, 19 September 2019 diff hist −25‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎{{TAG|INCAR}}
• 11:1611:16, 19 September 2019 diff hist +2‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎{{TAG|INCAR}}
• 11:1611:16, 19 September 2019 diff hist −55‎ Nuclephile Substitution CH3Cl - mMD1 ‎ →‎{{TAG|INCAR}}

18 September 2019

• 16:0016:00, 18 September 2019 diff hist +10‎ Nucleophile Substitution CH3Cl - Standard MD ‎ →‎Download
• 15:5715:57, 18 September 2019 diff hist +1‎ Nucleophile Substitution CH3Cl - Standard MD ‎ →‎Download
• 15:5715:57, 18 September 2019 diff hist −1‎ Nucleophile Substitution CH3Cl - Standard MD ‎ →‎Download
• 15:4415:44, 18 September 2019 diff hist +10‎ Nucleophile Substitution CH3Cl - Standard MD ‎ →‎Higher temperature - 1000 K
• 15:4315:43, 18 September 2019 diff hist +4‎ Nucleophile Substitution CH3Cl - Standard MD ‎No edit summary
• 15:4315:43, 18 September 2019 diff hist 0‎ N File:Histogram 1000K.jpg ‎No edit summary current

16 September 2019

• 09:3909:39, 16 September 2019 diff hist −2‎ Nucleophile Substitution CH3Cl - Standard MD ‎ →‎Time evolution of distance
• 09:3809:38, 16 September 2019 diff hist 0‎ Nucleophile Substitution CH3Cl - Standard MD ‎ →‎Time evolution of distance
• 09:3709:37, 16 September 2019 diff hist −1‎ Nucleophile Substitution CH3Cl - Standard MD ‎ →‎Time evolution of distance
• 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}}