Tags

A tag is a keyword or label that categorizes your question with other, similar questions. Using the right tags makes it easier for others to find and answer your question.

Questions about the VMD software.
8 questions
Questions about plane-wave basis sets.
8 questions
For questions about the calculation of phonon density of states (DoS) or the theories involved in them.
8 questions
Questions about publishing. Questions in this tag will also show up in the feed for the Academia.SE main chat room.
8 questions
For questions applying informatics techniques (data mining, high-throughput screening, specialized file formats) to materials research
8 questions
Questions concerning the Thermo-Calc software package.
8 questions
Questions regarding periodic boundary conditions in materials.
8 questions
Questions related to Density Functional Perturbation Theory.
8 questions
Questions to do with configuration interaction theory and applications.
8 questions
Questions related to phase transitions in matter.
7 questions
For questions related to simulating the effects of magnetic fields.
7 questions
for questions about the density matrix renormalization group (DMRG) method.
7 questions
For questions about heterostructures.
7 questions
Questions about electron diffraction in materials.
7 questions
Questions related to transport phenomena (e.g. charge transfer, heat conduction, molecular diffusion).
7 questions
For questions about using the Psi4 Quantum Chemistry Package.
7 questions
Questions relating to entropy. The entropy S, of a physical system, is related to the number of possible microscopic configurations of that system. It is also a measure of disorder in a physical syste…
7 questions
Questions about ab-initio molecular dynamics (AIMD).
7 questions
Questions about metals.
7 questions
Questions about conceptual DFT.
7 questions
Questions about reaction mechanisms.
7 questions
Questions about high-precision or high-accuracy calculations (even though these two things don't meant he same thing, they are related enough to fit in one tag for now).
7 questions
Questions about PAW.
7 questions
Questions about spin polarization.
7 questions
7 questions
Pymatgen (Python Materials Genomics) is a robust, open-source Python library for materials analysis.
6 questions
Questions about elasticity of materials.
6 questions
For modeling of H2O or H2O clusters.
6 questions
6 questions
For questions related to the program wannier90, a program that calculates maximally localized Wannier Functions
6 questions
For questions about (or related to) the Hubbard model.
6 questions
For questions about modeling the adsorption, the process of molecules attaching to a solid surface.
6 questions
Questions about the ATAT software.
6 questions
For questions about (or involving) the MRCC electronic structure software package.
6 questions
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