2010-2014 : 2009-2014 (e ora esteso e finanziato anche per gli anni 2015-2019) : Carlo Gatti is one of the six international partners of the Center for Materials Crystallography (CMC, http://cmc.chem.au.dk/), a new Centre of Excellence established January 1st, 2010, based on funding from The Danish National Research Foundation. The Center is headed by Prof. Bo Bummerstedt Iversen (Aarhus University, DK) and the six international partners are: oProf. Dr. Dietmar Stalke (Georg-August-Universität Göttingen, Germany) oProf. Mark Spackman (University of Western Australia, Australia) oDr. Carlo Gatti (Istituto di Scienze e Tecnologie Molecolari, Italy) oResearch Director Masaki Takata (SPring8 Synchrotron Facility, Japan) oExec. Director P. James Viccaro (University of Chicago Center for Advanced Radiation Sources, USA) oGroup Leader Bryan Chakoumakos (Neutron Scattering Division, Oak Ridge National Laboratory, USA) The CMC is aimed at exploiting the revolutionising opportunities provided by new X-ray and neutron sources to tackle important challenges in materials science. These include: oUnraveling the chemical origin of molecular self-assembly oUnderstanding the mechanism behind thermoelectric materials capable of converting heat into electrical energy, oMeasuring structures of laser excited crystals oUnderstanding the nucleation, growth and structure of the nanoparticles, which form the basis of emerging new energy technologies oQuantifying how guest molecules interact with porous host materials used e.g. for gas storage or catalysis oObtaining an atomic scale insight into complex magnetic materials The expertise and contribution of Dr Gatti within CMC concerns the ab-initio calculations of periodic systems, the development of new software implementing quantum topological approaches (such as Quantum Theory of Atoms in Molecules, QTAIM, Bader's theoy) for the solid state and of new chemical bond descriptors, in particular the source function.
Center for Materials Crystallography
2011
Abstract
2010-2014 : 2009-2014 (e ora esteso e finanziato anche per gli anni 2015-2019) : Carlo Gatti is one of the six international partners of the Center for Materials Crystallography (CMC, http://cmc.chem.au.dk/), a new Centre of Excellence established January 1st, 2010, based on funding from The Danish National Research Foundation. The Center is headed by Prof. Bo Bummerstedt Iversen (Aarhus University, DK) and the six international partners are: oProf. Dr. Dietmar Stalke (Georg-August-Universität Göttingen, Germany) oProf. Mark Spackman (University of Western Australia, Australia) oDr. Carlo Gatti (Istituto di Scienze e Tecnologie Molecolari, Italy) oResearch Director Masaki Takata (SPring8 Synchrotron Facility, Japan) oExec. Director P. James Viccaro (University of Chicago Center for Advanced Radiation Sources, USA) oGroup Leader Bryan Chakoumakos (Neutron Scattering Division, Oak Ridge National Laboratory, USA) The CMC is aimed at exploiting the revolutionising opportunities provided by new X-ray and neutron sources to tackle important challenges in materials science. These include: oUnraveling the chemical origin of molecular self-assembly oUnderstanding the mechanism behind thermoelectric materials capable of converting heat into electrical energy, oMeasuring structures of laser excited crystals oUnderstanding the nucleation, growth and structure of the nanoparticles, which form the basis of emerging new energy technologies oQuantifying how guest molecules interact with porous host materials used e.g. for gas storage or catalysis oObtaining an atomic scale insight into complex magnetic materials The expertise and contribution of Dr Gatti within CMC concerns the ab-initio calculations of periodic systems, the development of new software implementing quantum topological approaches (such as Quantum Theory of Atoms in Molecules, QTAIM, Bader's theoy) for the solid state and of new chemical bond descriptors, in particular the source function.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
