Claudia Filippi
0000-0002-2425-6735
8 papers found
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TREXIO: A file format and library for quantum chemistry
Variational principles in quantum Monte Carlo: the troubled story of variance minimization
Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries
Taming the Complexity of Donor–Acceptor Stenhouse Adducts: Infrared Motion Pictures of the Complete Switching Pathway
The key to the yellow-to-cyan tuning in the green fluorescent protein family is polarisation
Photoprogramming Allostery in Human Serum Albumin
Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo
Optimizing the Energy with Quantum Monte Carlo: A Lower Numerical Scaling for Jastrow–Slater Expansions
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