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Matt Horton

Researcher at the Materials Project, I also help run a materials science community forum over at matsci.org.

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12 When do I use the lattice parameters obtained computationally vs experimentally? Oct 8 '20
10 What software can be used to do QTAIM analysis? Sep 17 '20
9 What is the closest thing we have to “the” universal density functional? Sep 17 '20
7 Is the “Final Magnetic moment” in the materials project repository same as the “total magnetization” value in Quantum ESPRESSO output files? Dec 11 '20
6 How to sort a supercell for a molecular crystal? Mar 12
6 Generating SOAP descriptors in python Nov 12 '20
6 Molecular visualization software in Jupyter (IPython) Notebooks Sep 24 '20
5 Is there a free online repository where I can download X-ray diffraction (XRD) data? Mar 18
5 How to know optimal K-points grid values for good DFT calculation? Sep 24 '20
4 Rotation of crystal structure to match another structure of the same compound/polymorph Jan 14
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