Chemistry
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exsonic01
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All Questions Answers
Score Newest
question
7
How can I get xyz coordinates of atoms of a unit cell structure from CIF format files?
Apr 24, 2019
question
2
Question during radius of gyration calculation from XYZ trajectoris of atoms
Dec 20, 2018
question
1
How can I get self-diffusion coefficient from MSD (mean sqaure displacement)
Dec 20, 2018
question
0
How one can calculate Si-O-Ca/Mg valence angle energy?
Jun 11, 2019
question
0
How can I find the smaller symmetric structure from big crystal unit cell?
Jul 1, 2019
question
0
Question about the setting of DFT (Density Function Theory)-NEB (Nudged Elastic Band) calculation
Nov 8, 2019
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Machine learning interatomic potentials for molecular dynamic simulations: are they good?
24
Is there a database where we can find previously determined geometries of materials?
12
How to do periodic DFT calculations using Quantum ESPRESSO?
7
What do reviewers mean by "broad readership" when rejecting paper?
7
Question regarding post-doc salary and moving expense (US)

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