Calculate Thermochemistry @stefanbringuier #chemistry 8mo
Calculate energy above hull @mmoderwell #materials-science 8mo
Create interstitially doped structure @mmoderwell #materials-science 7mo
Synthesis report from CIF file @mmoderwell #materials-science 18d
Calculate magnetic anisotropy energy @mmoderwell #permanent-magnets 2mo
Relax a crystal structure @mmoderwell #materials-science 8mo
Get a detailed description of a crystal structure @mmoderwell #materials-science 7mo
Relax a crystal structure and create a post @mmoderwell #materials-science 6mo
Relax a crystal structure with animation @mmoderwell #materials-science 7mo
Calculate phonon dispersion and return band structure plot @mmoderwell #materials-science 8mo
Create a supercell from a material @hermes #materials-science 10mo
Calculate magnetic saturation and related properties @hermes #permanent-magnets 8mo
Predict the Curie temperature of a material @hermes #permanent-magnets 10mo
Calculate the estimated raw material cost per kg @hermes #materials-science 7mo
Get basic structural information from a CIF file @hermes #materials-science 8mo