A. Cuzzocrea MSc (Alice)

Engineering & Materials Science

# Electronic Structure
# Excitation Energy
# Excited States
# Wave Functions

Chemistry

# Coupled Cluster
# Cyanine Dye
# Momentum Distribution
# Wave Function

Faculty of Science and Technology (TNW), Computational Chemical Physics (CCP)

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., Meißner, 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.

+31534891924

a.cuzzocrea@utwente.nl