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Score Activity Newest

11

State of the art in computational materials design

May 21, 2020

9

Are there any open source software for calculating the rotational and translational entropy of molecules?

May 19, 2020

8

Norm-Conserving or Ultrasoft, which pseudopotential to choose?

May 19, 2020

8

Is there any definitive evidence that implicit solvation methods are more accurate than explicit solvation methods for free energy calculations?

May 21, 2020

8

Does anyone know any software for MD simulation which include the effect of magnetic field?

Jul 2, 2020

Questions

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19

Cancellation of Errors in density functional approximations or any wavefunction based methods

May 21, 2020

8

Tools for structural analysis on LAMMPS trajectories

Aug 29, 2020

2

Materials Modeling in Industry

Jun 11, 2020

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software

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+10

Norm-Conserving or Ultrasoft, which pseudopotential to choose?

+10

Is there any complete list of open source hubs specifically designed for materials modeling and computational materials science?

+10

Does anyone know any software for MD simulation which include the effect of magnetic field?

+10

State of the art in computational materials design

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