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Matter Modeling
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Fabian's user avatar
Fabian's user avatar
Fabian
  • Member for 4 years, 7 months
  • Last seen more than 1 year ago
  • Zurich, Switzerland
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Persuing a PhD in engineering. Topics include density funcitonal theory and quantum transport calculations.

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Top posts
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31
What are the freely available crystal-structure visualization softwares?
May 8, 2020
answer
18
How are charge transfer processes modeled in materials?
May 7, 2020
answer
15
How to rectify the error "Lost atoms: original 28437 current 3659" in LAMMPS?
Jun 25, 2020
answer
14
What makes PBE the most preferred functional over other GGA functionals?
May 5, 2020
answer
12
Read a data file into the atoms object in ASE
Apr 21, 2021
answer
10
Is it possible to use the Parrinello-Rahman barostat for NPT simulations in CP2K?
May 26, 2020
answer
8
Recalculate atom positions to account for periodic boundary conditions
Dec 23, 2020
answer
7
Which non-commercial softwares can be used to model amorphous carbon?
Aug 26, 2020
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6
How to include individual PBC box dimensions in xyz file format compatible with VMD
Dec 29, 2020
answer
4
cp2k conserved quantity changed when restart NVT MD?
Jan 7, 2021