A. Cuzzocrea MSc (Alice)



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


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.



Universiteit Twente
Faculty of Science and Technology
Carré (gebouwnr. 15)
Hallenweg 23
7522NH  Enschede

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Universiteit Twente
Faculty of Science and Technology
Postbus 217
7500 AE Enschede