|
Simulation of saltwater droplet on a surface
|
|
4
|
265
|
April 24, 2023
|
|
Fine-tuning CHGNet with AIMD data
|
|
3
|
773
|
April 18, 2023
|
|
Suggestion for experimental data schemas
|
|
0
|
215
|
April 18, 2023
|
|
Need help for calculating the interatomic energy between two Au atoms using Auu3.eam potential file
|
|
1
|
234
|
April 1, 2023
|
|
Thermal conductivity
|
|
0
|
278
|
March 22, 2023
|
|
Open ended Senior Software Scientist position available (UK)
|
|
0
|
253
|
March 14, 2023
|
|
Phase transformation for si gas hydrates
|
|
0
|
253
|
January 25, 2023
|
|
ML predictions not correlated with bias in data
|
|
0
|
271
|
January 22, 2023
|
|
How can I understand My structure is Amorphous or not?
|
|
1
|
279
|
January 18, 2023
|
|
Influence of one region over other inspite of gap between atoms
|
|
1
|
241
|
December 27, 2022
|
|
Fresh raspberries repel honey (?)
|
|
2
|
489
|
December 13, 2022
|
|
VMD -> OpenGL-display does not work on Xforwarding
|
|
0
|
290
|
December 12, 2022
|
|
Hiring Ph.D. students for my group at Northeastern University
|
|
0
|
324
|
December 8, 2022
|
|
Difference of thermal conductivity along different axis
|
|
0
|
256
|
December 2, 2022
|
|
General notice: Mastodon server
|
|
0
|
309
|
November 29, 2022
|
|
Gas Hydrate Melting point
|
|
2
|
373
|
October 31, 2022
|
|
How do I define the density of a finite system?
|
|
2
|
307
|
October 31, 2022
|
|
Introduce Carolina Materials Database
|
|
2
|
503
|
October 29, 2022
|
|
Force field
|
|
2
|
401
|
October 10, 2022
|
|
FAIR principles for molecular dynamics
|
|
1
|
439
|
September 29, 2022
|
|
Frontiers in Computational Chemistry, Oct 7 2022
|
|
0
|
352
|
August 9, 2022
|
|
How DFT-D3 affects 3-d vs. layered structures
|
|
0
|
280
|
July 11, 2022
|
|
Materials Studio, Charges
|
|
2
|
440
|
June 22, 2022
|
|
Molecular modeling of diatomic molecules
|
|
4
|
373
|
June 14, 2022
|
|
Change xyz coordinates
|
|
0
|
305
|
May 24, 2022
|
|
I want to use one of the potentials on NIST , but how can I implement them like Al-Au-Si
|
|
2
|
410
|
March 2, 2022
|
|
X- Ray diffraction
|
|
1
|
380
|
February 10, 2022
|
|
The comparison of bandgap value of slab and bulk phase
|
|
1
|
797
|
February 8, 2022
|
|
Managing Research Software Projects Workshop
|
|
0
|
335
|
September 8, 2021
|
|
How best to post FYI of upcoming conferences?
|
|
2
|
362
|
May 14, 2021
|