1
Niklas Göllmann,
Matthew R. Ludwig,
Peter Wind,
Laura Elizabeth Ratcliff,
Luca Frediani
:
Combining the maximum overlap method with multiwavelets for core-ionisation energy calculations
Physical Chemistry, Chemical Physics - PCCP 02. Oct 2025
DOI /
ARKIV
1
WIlliam Dawson,
Louis Beal,
Laura Elizabeth Ratcliff,
Martina Stella,
Takahito Nakajima,
Luigi Genovese
:
Exploratory data science on supercomputers for quantum mechanical calculations