Archê implements accelerated SCF in OFMD to generate plasma EOS with linear scaling and GPU speedup, validated on aluminum against Abinit after adding a pseudopotential correction from an average-atom model.
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Arch\^e, an orbital-free molecular dynamics code for fast production of equations of state
Archê implements accelerated SCF in OFMD to generate plasma EOS with linear scaling and GPU speedup, validated on aluminum against Abinit after adding a pseudopotential correction from an average-atom model.