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A. Cuzzocrea MSc (Alice)

Expertises

Engineering & Materials Science
Electronic Structure
Excitation Energy
Excited States
Wave Functions
Chemistry
Coupled Cluster
Cyanine Dye
Momentum Distribution
Wave Function

Publicaties

Recent
Cuzzocrea, A., Moroni, S., Scemama, A. , & Filippi, C. (2022). Reference Excitation Energies of Increasingly Large Molecules: A QMC Study of Cyanine Dyes. Journal of chemical theory and computation, 18(2), 1089-1095. https://doi.org/10.1021/acs.jctc.1c01162
Cuzzocrea, A., Scemama, A. , Briels, W. J., Moroni, S. , & Filippi, C. (2020). Variational Principles in Quantum Monte Carlo: The Troubled Story of Variance Minimization. Journal of chemical theory and computation, 16(7), 4203-4212. https://doi.org/10.1021/acs.jctc.0c00147
Kapil, V., Rossi, M., Marsalek, O., Petraglia, R., Litman, Y., Spura, T., Cheng, B. , Cuzzocrea, A., Mei├čner, R. H., Wilkins, D. M., Helfrecht, B. A., Juda, P., Bienvenue, S. P., Fang, W., Kessler, J., Poltavsky, I., Vandenbrande, S., Wieme, J., Corminboeuf, C., ... Ceriotti, M. (2019). i-PI 2.0: A universal force engine for advanced molecular simulations. Computer physics communications, 236, 214-223. https://doi.org/10.1016/j.cpc.2018.09.020
Kapil, V. , Cuzzocrea, A., & Ceriotti, M. (2018). Anisotropy of the Proton Momentum Distribution in Water. Journal of physical chemistry B, 122(22), 6048-6054. https://doi.org/10.1021/acs.jpcb.8b03896
Cuzzocrea, A. , Feldt, J., Moroni, S., Scemama, A. , & Filippi, C. (2018). Finding the key to accurate excited states in quantum Monte Carlo. Poster session presented at 6th CHemistry As INnovating Science Conference, CHAINS 2018, Veldhoven, Netherlands.
Cuzzocrea, A., Kapil, V., & Ceriotti, M. (2018). Computing the proton momentum distribution of water through path integral molecular dynamics. Poster session presented at Photoinduced Processes in Embedded Systems, PPES 2018, Pisa, Italy.

Contactgegevens

Bezoekadres

Universiteit Twente
Drienerlolaan 5
7522 NB Enschede

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Postadres

Universiteit Twente
Postbus 217
7500 AE Enschede