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Matter Modeling
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Stephen
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12
Why are ions in water not paired?
Oct 14, 2022
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7
What is the fundamental difference between the Ising and Potts models?
Sep 17, 2022
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7
Which equation makes it possible to calculate the forces of attraction between a surface and molecules?
Sep 19, 2022
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5
Which properties would you study to evaluate spatial confinement of a molecule
Oct 3, 2022
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4
What is the artifact of the Pt valence density referred to in example04 of the Environ module?
Oct 20, 2022
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4
Need help about how I can get/generate semicore pseudopotentials to be used in Quantum Espresso DFT?
Sep 2, 2022
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3
Grand potential vs. Gibbs free energy of adsorption for ab initio thermodynamics
Sep 1, 2022
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3
Is hexaamminecobalt(III) chloride thermodynamically stable in pure water?
Sep 22, 2022
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2
In a plane-wave code, does the Fermi energy depend on the pseudopotentials used?
Nov 30, 2022
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2
Details about ZPE and entropy of adsorbates
Sep 6, 2022
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6
Converting fractional coordinates into cartesian coordinates for crystallography
5
Can this python function be vectorized?