 | Welcome to Prof. Dr. Patrizia Calaminici Webpage Position: Full Professor (Sep.1999-present), Faculty of Chemistry Location: CINVESTAV, Chemistry Department, Mexico City Tels.: +52-55-5747-3911 (Office) +52-55-5747-3800 Exts. 4411, 4465 (Lab.) +52-55-5747-3800 Ext. 4408 (Secretary) E-mails: pcalamin@cinvestav.mx, calaminicipatrizia@gmail.com
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Academic Education:
- Bachelor Degree (Physics): University of Calabria (Italy), 1992
- Ph.D. (Inorganic Chemistry): University of Calabria (Italy), 1996
- Postdoc: University of Hannover (Germany), Jan.1997-Sep. 1999
Research:
We are interested in applications and developments within the framework of density functional theory and we are currently focusing on the following research topics:
- Development of algorithms for constrained minimization and transition state search
- QM/MM analytic second order energy derivatives
- Metals and transition metal clusters
- Theoretical design of nanocatalysts
- Temperature dependent properties of finite systems (Polarizability, Heat Capacity)
- Ab-initio Born-Oppenheimer molecular dynamic (BOMD) simulations
- Endohedral and large fullerenes
- Biological systems
Last modify: July 26th 2022