“Computer simulation of advanced materials”: Lecturers


Prof. Gian Paolo Brivio
Science Material Department, University of Milano-Bicocca (Italy)
Research interests:

  • Adsorption theory
  • Chemisorption systems
  • Many-body effects at surfaces
  • Physisorption
  • Infrared vibrational relaxation spectra of molecules
 

Prof. Luciano Colombo
Department of Physics, University of Cagliari (Italy)
Research interests:

  • nanomaterials for energy (hybrid organic/inorganic systems for photovoltaics; nano-crystyalline silicon; thermal transport at the nanoscale);
  • mechanical behavior of complex materials (nonlinear elasticity of nanostructured materials; elastic behavior of graphene-based nano-systems; thermo-visco-elasticity of model polymers of biological interest).
 

Dr. James Elliott
Department of Materials Science and Metallurgy, University of Cambridge (UK)
Research interests:

  • Packing of filler particles in polymer composites
  • X-ray microtomography of polymer foams
  • Model-independent maximum entropy methods
  • Structural characterisation of perfluorosulphonate ionomers
 

Prof. Alexei Khokhlov
Vice-Rector of Lomonosov Moscow State University (Russia)
Research interests:

Polymer science, statistical physics of macromolecules, physical chemistry of polyelectrolytes and ionomers, microphase separation in polymer systems, polymer liquid crystals, polyelectrolyte responsive gels, topological restrictions in polymer systems, dynamics of concentrated polymer solutions and melts, coil-globule transitions, associating polymers, computer simulation of polymer systems, biomimetic polymers, proton-conducting polymer membranes.

 

Dr. Anton Korzh
Architect, T-Platforms Ltd

 

Dr. Igor Morozov
Joint Institute for High Temperatures of Russian Academy of Sciences, (Russia)
Research interests:

  • Molecular dynamics simulations of extreme states of matter (nonideal plasmas)
  • Developing of Wave Packet Molecular Dynamics technique
  • Parallel and distributed computing
  • Accelerating atomistic simulations using GPUs
 

Prof. Marcus Müller
Institute of Theoretic Physics, Georg-August University, Göttingen (Germany)
Research Interests:

  • polymer solutions and melts
  • collective phenomena in membranes and self-assembly
  • kinetics of phase transitions
  • wetting and phase diagrams in confined geometry
  • computer simulation methodology (calculating free energies in Monte Carlo simulations and efficient equilibration methods)
  • numerical self-consistent field theory
 

Prof. Jenny Nelson
Department of Physics, Imperial College London (UK)
Research interests:

  • photovoltaic energy conversion using molecular materials
  • characterisation of the charge transport, charge separation and morphology properties of molecular semiconductors
  • modelling of charge transport in organic semiconductors
 

Prof. Alexander Nemukhin
Department of Chemistry, Lomonosov Moscow State University (Russia)
Research interests:

  • Quantum Chemistry and Computational Chemistry
  • Molecular Spectroscopy
  • Molecular Dynamics
 

Prof. Genry E. Norman
Joint Institute for High Temperatures of Russian Academy of Sciences (Russia)
Research interests:

  • электро- и теплофизические свойства и динамические процессы в материалах для электрофизических и энергетических установок
  • устойчивость металлов при перегреве и растяжении, прочность, гомогенная нуклеация/кавитация и фазовые превращения в кристаллах и жидкостях
  • релаксация энергии и плазменные волны в неидеальной плазме
 

Dr. Boris Potapkin
Director, Kintech Laboratoties Ltd (Russia)

 

Dr. Alexey Shaytan
Department of Biology, Lomonosov Moscow State University (Russia)
Research interests:

  • Dynamics of nucleosomes and elongation complexes
  • Function of ion channels as potential drug targets studied by MD simulations
  • Molecular dynamics simulations of polymers and biopolymers. Basic principles and free energy calculations
  • Self-organization of polymer-bioconjugates and amyloid-like structures. Design of conductive bioinspired nanowires
  • Spectral properties of rhodopsin proteins and their mutant forms studied via QM/MM calculations
  • Membrane simulations and interaction of nano particles with biological membranes. Atomistic and coarse-grain simulations
 

Dr. Mikhail Tamm
Department of Physics, Lomonosov Moscow State University (Russia)
Research interests:

Сomplex systems, nonequilibrium statistical mechanics, random surface growth, KPZ equation, random graphs and sol-gel transition, associating fluids and polymers, RNA secondary structures.

 

Prof. Mounir Tarek
Équipe de Chimie et Biochimie Théoriques, Nancy University (France)
Research interests:

  • Electroporation of cell membranes (drug and gene delivery, electroshock healing, antibacterial treatment)
  • Transport through voltage-gated potassium ion channels (ion conduction and selectivity, regulation by anesthetics and toxins, mutations, chanellopathies)
  • Action of synthetic peptide on membranes (antibacterial treatment)
  • Transport through peptide nanotubes
  • Interaction of carbon nanostructures with membranes and membrane proteins.
  • Developpement of Coarse grained force fields for biomolecular simulations
 

Prof. Joost VandeVondele
Nanoscale Simulation, ETH Zurich (Switzerland)
Research interests:

The research focus is on the development of new methods to enable ab initio molecular dynamics simulations of complex systems with modern density functional theory. New methods, implemented for massively parallel computers, are applied to a wide range of systems such as radicals in clusters and the condensed phase, surface physics, and interfacial systems such as dye sensitized solar cells.