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prof.dr. C. Filippi (Claudia)

Hoogleraar

Expertises

Excitation
Energy
Proteins
Proteins
Wave Functions
Density Functional Theory
Wave Functions
Excited States
Excited States

Publicaties

Recent
Assaraf, R., Moroni, S., & Filippi, C. (2017). Optimizing the energy with quantum Monte Carlo: A lower numerical scaling for Jastrow-Slater expansions. Journal of chemical theory and computation, 13(11), 5273-5281. [13]. DOI: 10.1021/acs.jctc.7b00648
Filippi, C., Assaraf, R., & Moroni, S. (2016). Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo. Journal of chemical physics, 144(194105), 194105-. [194105]. DOI: 10.1063/1.4948778
Guareschi, R., Zulfikri, H., Daday, C., Floris, F. M., Amovilli, C., Mennucci, B., & Filippi, C. (2016). Introducing QMC/MMpol: Quantum Monte Carlo in polarizable force fields for excited states. Journal of chemical theory and computation, 12(4), 1674-1683. DOI: 10.1021/acs.jctc.6b00044

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Contactgegevens

Bezoekadres

Universiteit Twente
Faculteit Technische Natuurwetenschappen
Carré (gebouwnr. 15), kamer 4031
Hallenweg 23
7522NH  Enschede

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Postadres

Universiteit Twente
Faculteit Technische Natuurwetenschappen
Carré  4031
Postbus 217
7500 AE Enschede