phq: a Fortran code to compute phonon quasiparticle properties and dispersions
A 200-line MATLAB code for calculating the dynamical matrix using the Tersoff potential
Automatic Differentiation of Interatomic Potentials with Phonons in Julia: ADIP².jl
Thermodynamic modelling of Cu2ZnSnS4 (CZTS) phase equilibria
phq: a Fortran code to compute phonon quasiparticle properties and dispersions
Rigorous, reproducible study of the large-wave effect on discrete rings: the peak grows like (1/π)·ln N and saturates exactly for prime and power-of-two N — with an exact-arithmetic & formally-verified layer (GAP · PARI/GP · FriCAS · Rocq).
Phonon calculations from RMC configurations ensemble.
HECSS is a Monte-Carlo, configuration space sampler using sample weighting algorithm for probability distribution sampling.
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