first-principles topic

List first-principles repositories

Z2Pack

81
Stars
51
Forks
Watchers

A tool for calculating topological invariants.

verified publisher icon Z2PackDev

overreact

48
Stars
9
Forks
Watchers

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

verified publisher icon geem-lab