Alin Marin Elena's

Republic of Numbers and Letters

Publications

  • Alin Marin Elena and Ivan Rungger. Enabling Smeagol on Xeon Phi: Lessons Learned. PRACE White Paper, 2014,    www.prace-ri.eu/IMG/pdf/wp134.pdf
  • Alin Marin Elena, Simone Meloni, and Giovanni Ciccotti. Equilibrium and Rate Constants, and Reaction Mechanism of the HF Dissociation in the HF(H2O)7 Cluster by ab Initio Rare Event Simulations. The Journal of Physical, Chemistry A, 2013, http://dx.doi.org/10.1021/jp406982h
  • A.T. Paxton, T.N. Todorov and  A. M. ElenaRing currents in azulene, Chemical Physics Letters, 483, 1-3,154-158 (2009), http://dx.doi.org/10.1016/j.cplett.2009.10.041
  • A. M. Elena   , M. Meister,       Automatic Generation of Matrix Element Derivatives for Tight Binding Models, Phys. Rev. B, 72, 165107 (2005), http://10.1103/PhysRevB.72.165107

Presentations

  • talk, A M Elena, IPCC Users' Group meeting, Dublin, February 25, 2015  
  • talk, A M Elena, CECAM: Exploiting heterogeneous multi-core and many-core platforms for atomic and molecular simulations, STFC Hartree Centre, Daresbury, UK, September 11, 2014      
  • poster, A M Elena, S Meloni, G Ciccotti, EU-US HPC Summer School, Dublin.Deprotonation mechanism of (H2 O)7 HF, June 26, 2012  
  • poster, A M Elena, S Meloni, G Ciccotti, CECAM: Free-Energy Calculations,  École des Ponts et Chaussées, Paris. Deprotonation mechanism of (H   2   O)   7   HF, June 6, 2012  
  • talk, A M Elena, S Meloni, G Ciccotti, Nanoscale Simulators Ireland Meeting, Trinity College Dublin.Deprotonation mechanism of hydrofluoric acid(H   2   O)   7   HF cluster by ab-initio rare event simulations, January 13, 2012  
  • poster, A M Elena, M Meister, CECAM: Programming Parallel Computers, Jülich, Germany. Automatic Generation of Matrix Element Derivatives for Tight Binding Models, January 2006  
  • talk, M. Elena   , M. Bercu,       Electron Transfer in Disordered One-dimensional Systems   , Annual Scientific Conference, Faculty of Physics, University of Bucharest,       May 30, 2003
  • talk, M. A. Elena   , Mircea Bercu,       Simulation of H-H Collision Based on Molecular Dynamics   , Annual Scientific Conference, Faculty of Physics, University of Bucharest,     May 31, 2002
  • talk, V. Barna,       A. Elena   , D. Nedelcu,       Effect of Specimen Thickness on Crystallisation Rate   , Annual Scientific Conference, Faculty of Physics, University of Bucharest,       May 31, 2002

Desktop Site