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Viorel Chihaia
Institute of Physical Chemistry "Ilie Murgulescu", Bucharest, .
E-mail: trimite un mesaj.
Pagina web a instituţiei: http://www.hpc-icf.ro
Pagina web personala: http://www.hpc-icf.ro
Nascut(a) in: 1964
Interese: simulare numerica stiinta materialelor
Detalii:
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Details:
Modeling and simulation
To control various phenomena in nature we need to understand the mechanisms of interactions and the organization of materials. The modern physics and chemistry provide theoretical supports for this but we require to handle a huge amount of data. The modern computer infrastructure (hardware/ software) may help us to calculate the values of various physical-chemical parameters based on the equation of states and models of a given system. The computer provide us in the organizing, the managing and the rationalization of the resulted data. The goal of our group is to provide the support and expertise for researcher usinging programming languages, numerical libraries, statistical packages, finite element solvers, and specialized software for material science (physics, chemistry, biology and other disciplines).
Publicații selectate:
* Imre Bakó, Tünde Megyes, Szabolcs Bálint, Tamás Grósz and Viorel Chihaia, Water–methanol mixtures: topology of hydrogen bonded network, Phys. Chem. Chem. Phys., 10, 2008.
* Schober, H., H. Itoh, A. Klapproth, V. Chihaia and W. F. Kuhs, Guest-host coupling and anharmonicity in clathrate hydrates, European Physical Journal E – Soft Matter, 12, 2003.
* Imre Bakó, Tünde Megyes, Szabolcs Bálint, Viorel Chihaia, Marie-Claire Bellissent-Funel, Hartmut Krienke, Andreas Kopf, and Soong-Hyuck Suh, Hydrogen bonded network properties in liquid formamide, J. Chem. Phys., 132, 2010.
* Viorel Chihaia, Stefan Adams and Werner F. Kuhs, Influence of water molecules arrangement on structure and stability of 512 and 51262 buckyball water clusters. A theoretical study, Chemical Physics, 297, 2004.
* Viorel Chihaia, Stefan Adams and Werner F. Kuhs, Molecular dynamics simulations of properties of a (0 0 1) methane clathrate hydrate surface , Chemical Physics, 317, 2005.