Matter Modeling
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SFriendly
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Score Newest
question
15
Is there a simple free working code that implements Hartree–Fock or DFT?
Sep 26, 2022
question
8
Is there a free software for modeling and graphical visualization crystals with defects?
Apr 17
question
7
Which equation makes it possible to calculate the forces of attraction between a surface and molecules?
Sep 17, 2022
question
5
How are the exponents in a STO-nG basis set obtained?
May 16, 2022
question
5
In which part of the Hartree–Fock algorithm (or DFT one) could a neural network be most effectively used?
Jun 10, 2022
question
5
Can specifications of a second-order phase transition of a solid be obtained with the Hartree-Fock (or DFT) calculation?
Mar 11
question
5
No way to make Quantum Espresso understand variables created by a user inside an input file?
Apr 1
question
4
How realistic is the use of classical analog electronic computers in solving the Schrödinger, Hartree-Fock, and Kohn-Sham equations?
Apr 24
question
4
Is the Broyden's algorithm sufficient to obtain the crystal structure of a hypothetical alloy, or should something else be used?
May 3
question
4
What kinds of calculations have to execute for obtaining the velocity of the chemical precipitation of some salt on a thread from a water-salt mix?
Jun 18

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