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A. Cuzzocrea MSc (Alice)

Expertise

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

Publications

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.

Contact Details

Visiting Address

University of Twente
Drienerlolaan 5
7522 NB Enschede
The Netherlands

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Mailing Address

University of Twente
P.O. Box 217
7500 AE Enschede
The Netherlands