Computational Chemistry Community in Padua - C3P - is the high performance computing (HPC) facility of the Department of Chemical Sciences, dedicated to computational chemistry and it is mainly used for academic research. The facility hosts 5 different clusters for a total of 880 cores and 23 GPU's. Software tools for quantum mechanical, molecular dynamics, and fluidodynamics calculations are available. The facility is also employed for the development of algorithms for computational chemistry. A description of the research conducted at the C3P facility is given in the Research at C3P page. The facility can be accessed by faculty members of the Department of Chemical Sciences as well as from other Departments of the University of Padua and other Universities. Access conditions are described in the Access page.
C3P promotes the following activities:
- Support to the computational work in academic research projects, both national and international, where modeling and computation in the fields of chemistry, material sciences and biosystems are required
- Development of software packages and of new methodologies in computational chemistry
- Grid computing, distributed into a national circuit
- Training of undergraduate and graduate students in Chemistry, Industrial Chemistry and Material Sciences
- Organisation of seminars and workshops in computational chemistry
The facility was born in 2008 with the former name LICC ("Laboratorio Interdipartimentale di Chimicha Computazionale") with the hystorical cluster Avogadro. This laboratory was part of a national project, named VILLAGE, in collaboration with the University of Naples, Federico II. During the years, a number of faculty members of the Department of Chemical Sciences contributed to increase and update the hardware resources, posing particular attention on the newest solutions proposed by the market in terms of HPC products. The facility is thus the result of the efforts done by many researchers who decided to share their resources in a community structure. This is the origin of the actual name of the facility, C3P, which features 5 Clusters for a total of 117 nodes, 880 cores and 23 GPU's. In 2020, an important update of Gibbs and Curie clusters was possible thanks to a 100 kEuro funds from the project of excellence NExuS.
- Antonino Polimeno
Scientific and technical committee:
- Silvia Carlotto
- Daniel Forrer
- Mirco Zerbetto
- Barbara Fresch
- Cristiano Zonta
- Gianpietro Sella (system manager)