Matter Modeling
Andrey Poletayev's user avatar
Andrey Poletayev's user avatar
Andrey Poletayev's user avatar
Andrey Poletayev
  • Member for 2 years
  • Last seen more than a week ago
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About

I like watching things move: kinetics and transport. Stat mech, electrochemistry, optics.

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View all questions and answers
All Questions Answers
Score Newest
answer
7
Empirically determining thermostat damping factor
Nov 8, 2021
answer
7
Langevin vs Nosé–Hoover thermostat
Jul 19, 2022
answer
6
Scripts to calculate ionic diffusivity
Jul 31, 2022
answer
5
Should I add vdW interaction to estimate chemical potential of metallic elements?
Jan 14, 2022
answer
5
Course on machine learning on application in material science
Mar 6
answer
4
Create doped structures to POSCAR files for vasp
Jul 31, 2022
answer
4
Is there an example in which TD-DFT was successful in describing photophysical or photochemical processes?
Jul 19, 2022
answer
4
Is it incorrect to use a NVT ensemble for Non-equilibrium MD simulation?
Jul 20, 2022
question
3
Packages for simulating neutron PDF
Aug 4, 2022
question
3
Discrepancy in forces between AIMD and relaxation
Dec 13, 2022

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