- About
- Selected Publications
Group Website
Assistant Professor of Physical Chemistry, University of Pisa
Alexander von Humboldt postdoctoral fellow, Johannes Gutenberg-Universität Mainz, Germany
Post Doc, LJLL and LCT, Sorbonne Université in Paris, France
PhD in Chemistry, Scuola Normale Superiore, Pisa, Italy
Contributions to Gaussian: Variational formulation of the Polarizable Continuum Model, Polarizable QM/MM models
Research Interests
- Fast algorithms and linear scaling techniques for computational chemistry
- Molecular properties of embedded systems
- Quantum electronic structure theory
- “Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit,” J. J. Eriksen, Janus J., F. Lipparini, J. Gauss, J. Phys. Chem. Lett. 8 (2017) 4633–39; DOI: 10.1021/acs.jpclett.7b02075.
- “Internally Contracted Multireference Coupled Cluster Calculations with a Spin-Free Dirac-Coulomb Hamiltonian: Application to the Monoxides of Titanium, Zirconium, and Hafnium,” F. Lipparini, T. Kirsch, A. Koehn, et. al., J. Chem. Theory Comput. 13 (2017) 3171–84; DOI: 10.1021/acs.jctc.7b00110.
- “Hybrid QM/MM Molecular Dynamics with AMOEBA Polarizable Embedding,” D. Loco, L. Lagardere, S. Caprasecca, et. al., J. Chem. Theory Comput. 13 (2017), 4025–33; DOI: 10.1021/acs.jctc.7b00572.
Last update: 19 March 2019
