University of Twente
Personen

Welkom...

prof.dr. C. Filippi (Claudia)

Hoogleraar

Expertises

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

Verbonden aan

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
Dash, M., & Filippi, C. (2017). An ab-initio study of electronic photoexcitations in building blocks of organic solar cells.
Dash, M., & Filippi, C. (2017). Exciting the building blocks of organic solar cells. -.
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
Guareschi, R., Valsson, O., Curutchet, C., Mennucci, B., & Filippi, C. (2016). Electrostatic versus resonance interactions in photoreceptor proteins: The case of rhodopsin. Journal of physical chemistry letters, 7(22), 4547-4553. DOI: 10.1021/acs.jpclett.6b02043
Zulfikri, H., Amovilli, C., & Filippi, C. (2016). Multiple-resonance local wave functions for accurate excited states in quantum Monte Carlo. Journal of chemical theory and computation, 12(3), 1157-1168. DOI: 10.1021/acs.jctc.5b01077
Zulfikri, H., Guareschi, R., & Filippi, C. (2016). Multiscale modeling of photoreceptor proteins: Squeezing blood from stones. -.
Zulfikri, H., & Filippi, C. (2016). Local multi-resonance description of excited states in quantum Monte Carlo. -.
Zulfikri, H., & Filippi, C. (2016). Strategies for computing excited states of large molecules in quantum Monte Carlo. -.

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Contactgegevens

+31534895473  (bij geen gehoor)
 
 

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

Verbonden aan

Universiteit Twente Drienerlolaan 5
7522 NB Enschede
+31 (0)53 489 9111
info@utwente.nl
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