LICC Laboratorio Interdipartimentale di Chimica Computazionale

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14th JULY 2009

Università degli Studi di Padova

Dipartimento di Scienze Chimiche

Via Marzolo 1 35131 Padova ITALY

Scientific coordinator: Antonino Polimeno

System manager: Gian Pietro Sella


15th JULY 2009

LICC is a computational facility dedicated to in silico description of soft- and hard materials and biosystems.
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Software repository

16th JULY 2009

A repository of software is available for diverse chemical applications, under open source license.
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Theoretical and computational chemistry at UniPD


14th JULY 2009

LICC is a laboratory of the Department of Chemistry at the University of Padova, dedicated to computational chemistry. The facility is open to researchers of the University of Padova. Main activities are devoted to computational and theoretical chemistry through a wide range of theoretical approaches and computational techniques, all focussed on the interpretation, simulation, characterization and rationalization of complex molecular systems, functionalized materials at nanoscale, biomolecular processes.

in the last few years, terms like in silico design or high-throughput computational approaches have become more and more familiar to the scientific community thanks to the impressive development of computational modelling activities. In particular computational approaches are of fundamental importance in the field of Nanoscience, to understand the physics of nanomaterials and to design better nanodevices.

In addition to the theoretical method development, chemists are becoming computer science experts as they modify chemistry software to run on massively parallel machines with dozens, even hundreds, of processors, design general tools to make clusters and their ilk run better, highlight new research on ways to visualize data, design new hardware to speed up lengthy calculations, and test numerous parallel versions of computational chemistry software on new hardware architectures.

LICC aims to provide an efficient environment for chemists in Padova utilizing complementary simulation and modelling tools starting from static and dynamic ab initio quantum simulations (e.g. density functional theory), atomistic simulations based on detailed many-body inter-atomic potentials, steady-state and big-bang Monte Carlo methods, coarse-grained approaches based on Molecular, Brownian and Dissipative particle dynamics, and mesoscopic approaches. besides LICC is a framework to develop general computational tools for nanoscience applications characterized by multiscale approaches and it isi meant to be readily available for experimental research and for industrial applications the specific computational tools developed in research academic environments.

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