WUTA08 1 st Italian Workshop on UltraViolet Techniques and Applications Prebiotic Chemistry and the Origin of Life. The possible role of UV radiation Claudia.
Padova - 05/04/07 A.A. 2006-2007 Opportunità in Chimica VILLAGE: Virtual Italian Laboratory for Large-scale Applications in a Geographically distribuited.
Density Functional Theory Modulo: Funzionale DensitàChimica Computazionale A.A. 2009-2010 Docente: Maurizio Casarin.
Yanming Ma Personal Webpage: State Key Lab of Superhard Materials, Jilin University.
Spin order in correlated electron systems Yukawa Institute for Theoretical Physics Zhi Li.
Ferroelectric topology and electronic structure of BaTiO 3 (001) 1 Université Paris-Sud 11 – École Doctorale 107 Physique de la Région Parisienne 2 Laboratoire.
(a short) CPMD tutorial Acknowledgments: This tutorial is partially based on that initially put together with Carme Rovira, Roger Rousseau, Axel Kohlmeyer.
Andreas Klamt COSMOlogic GmbH&Co.KG Leverkusen, Germany From Quantum Chemistry to Fluid Thermodynamics: The basics of COSMO-RS theory.
A coupled (hybrid) potential QM/MM/MD simulations in Amber Dr. Vladislav Vasilyev Supercomputer Facility The Australian National University.
Basics of molecular dynamics simulations Reduction of the quantum problem to a classical one Parameterization of force fields Boundaries, energy minimization,
Paul Michael Grant APS Senior Life Fellow IBM Research Staff Member Emeritus EPRI Science Fellow (Retired) Principal, W2AGZ Technologies Does the Hold.
CNT Hydrogen Storage Brief
