|
Simulation of saltwater droplet on a surface
|
|
4
|
254
|
April 24, 2023
|
|
Fine-tuning CHGNet with AIMD data
|
|
3
|
747
|
April 18, 2023
|
|
Suggestion for experimental data schemas
|
|
0
|
199
|
April 18, 2023
|
|
Need help for calculating the interatomic energy between two Au atoms using Auu3.eam potential file
|
|
1
|
229
|
April 1, 2023
|
|
Thermal conductivity
|
|
0
|
267
|
March 22, 2023
|
|
Open ended Senior Software Scientist position available (UK)
|
|
0
|
245
|
March 14, 2023
|
|
Phase transformation for si gas hydrates
|
|
0
|
250
|
January 25, 2023
|
|
ML predictions not correlated with bias in data
|
|
0
|
261
|
January 22, 2023
|
|
How can I understand My structure is Amorphous or not?
|
|
1
|
270
|
January 18, 2023
|
|
Influence of one region over other inspite of gap between atoms
|
|
1
|
235
|
December 27, 2022
|
|
Fresh raspberries repel honey (?)
|
|
2
|
475
|
December 13, 2022
|
|
VMD -> OpenGL-display does not work on Xforwarding
|
|
0
|
277
|
December 12, 2022
|
|
Hiring Ph.D. students for my group at Northeastern University
|
|
0
|
316
|
December 8, 2022
|
|
Difference of thermal conductivity along different axis
|
|
0
|
247
|
December 2, 2022
|
|
General notice: Mastodon server
|
|
0
|
303
|
November 29, 2022
|
|
Gas Hydrate Melting point
|
|
2
|
362
|
October 31, 2022
|
|
How do I define the density of a finite system?
|
|
2
|
301
|
October 31, 2022
|
|
Introduce Carolina Materials Database
|
|
2
|
483
|
October 29, 2022
|
|
Force field
|
|
2
|
384
|
October 10, 2022
|
|
FAIR principles for molecular dynamics
|
|
1
|
411
|
September 29, 2022
|
|
Frontiers in Computational Chemistry, Oct 7 2022
|
|
0
|
345
|
August 9, 2022
|
|
How DFT-D3 affects 3-d vs. layered structures
|
|
0
|
274
|
July 11, 2022
|
|
Materials Studio, Charges
|
|
2
|
427
|
June 22, 2022
|
|
Molecular modeling of diatomic molecules
|
|
4
|
367
|
June 14, 2022
|
|
Change xyz coordinates
|
|
0
|
299
|
May 24, 2022
|
|
I want to use one of the potentials on NIST , but how can I implement them like Al-Au-Si
|
|
2
|
401
|
March 2, 2022
|
|
X- Ray diffraction
|
|
1
|
374
|
February 10, 2022
|
|
The comparison of bandgap value of slab and bulk phase
|
|
1
|
770
|
February 8, 2022
|
|
Managing Research Software Projects Workshop
|
|
0
|
329
|
September 8, 2021
|
|
How best to post FYI of upcoming conferences?
|
|
2
|
354
|
May 14, 2021
|