Matter Modeling
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gogo
  • Member for 3 years, 6 months
  • Last seen more than 2 years ago
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Top posts
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question
19
Cancellation of Errors in density functional approximations or any wavefunction based methods
May 21, 2020
answer
11
State of the art in computational materials design
May 21, 2020
answer
9
Are there any open source software for calculating the rotational and translational entropy of molecules?
May 19, 2020
answer
8
Norm-Conserving or Ultrasoft, which pseudopotential to choose?
May 19, 2020
answer
8
Is there any definitive evidence that implicit solvation methods are more accurate than explicit solvation methods for free energy calculations?
May 21, 2020
answer
8
Does anyone know any software for MD simulation which include the effect of magnetic field?
Jul 2, 2020
question
8
Tools for structural analysis on LAMMPS trajectories
Aug 29, 2020
answer
7
Benchmark transition state geometries in condensed phases
Aug 12, 2020
answer
6
How do I extract a molecular structure from a CIF file?
Jul 22, 2020
answer
6
VASP Dielectric constants: What potential to use?
May 28, 2020
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Latex rendering and details

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