Invite speakers

Jochen Blumberger (Univ. College London, UK)
       Recent advances in simulating charge transfer in organic materials and at molecule/electrode interfaces
Roberto Car (Princeton Univ., USA)
       Variational Sampling and Monte Carlo Renormalization Group
Michele Ceriotti (École polytechnique fédérale de Lausanne, Switzerland)
       A Generally-Applicable Machine-Learning Scheme for Materials and Molecules
Amalendu Chandra (Indian Institute of Technology, Kanpur, India & Institute of Molecular Science, Japan)
       Hydrogen Bond Fluctuations and Time Dependent Infrared Spectroscopy of Aqueous Solutions from First Principles Simulations
Jun Cheng (Xiamen Univ., China)
       Simulating electrochemical interfaces using DFTMD
Hieu Chi Dam (Japan Advanced Inst. of Sci. and Tech., Japan)
       Accelerating materials science research with data mining
Mauro Del Ben (Lawrence Berkeley National Laboratory, USA)
       Enabling Large-Scale MP2 and RPA Calculations for Next Generation First-Principle Atomistic Simulations
Roberto A. DiStasio Jr. (Cornell Univ., USA)
       The Dipole Polarizability of a Condensed-Phase Water Molecule
Giulia Galli (Univ. of Chicago, USA)
       Notes on electronic structure at finite temperature
Vanda Glezakou (Pacific Northwest National Laboratory, USA)
       Use of molecular simulation in the study of complex processes
Seungwu Han (Seoul National Univ., South Korea)
       Discovery of new p-type transparent oxide semiconductors using hydrogen descriptor
Yosuke Kanai (Univ. of North Carolina, Chapel Hill, USA)
       Electronic stopping from large-scale non-equilibrium TDDFT simulation
Teodoro Laino (IBM Zurich, Switzerland)
       Enabling quantum modelling simulations for biological systems
Yanming Ma (Jilin Univ., China)
       Structure Prediction via Swarm Intelligence Algorithm
Satoshi Maeda (Hokkaido Univ., Japan)
       Ab initio global reaction route mapping in thermal and photochemical reactions
Nicola Marzari (École polytechnique fédérale de Lausanne, Switzerland)
       Collective phenomena in Boltzmann transport
Carla Molteni (King's College London, UK)
       Exploring activation mechanisms in neuroreceptors with metadynamics
Nisanth Nair (Indian Institute of Technology, Kanpur, India)
      Efficient Exploration of High Dimensional Free Energy Landscapes of Chemical Transformations by Temperature Accelerated Sliced Sampling Method
Fumiyasu Oba (Tokyo Institute of Technology, Japan)
       In Silico Design and Exploration of Novel Semiconductors
Masayuki Ochi (Osaka Univ., Japan)
       Toward accurate first-principles calculation using the wave function theory
Michele Parrinello (ETH Zurich & USI, Switzerland)
       Fluctuations, entropy and rare events
Matthias Scheffler (Fritz-Haber Institute, Germany)
       Strong electron-vibrational coupling and ab initio theory of heat transport
Annabella Selloni (Princeton Univ., USA)
       Understanding the structure of black TiO2
Osamu Sugino (The Univ. of Tokyo, Japan)
       Improved accuracy required for simulating energy conversion
Marialore Sulpizi (Univ. of Mainz, Germany)
       Water interfaces: structure and vibrational spectroscopy from ab initio MD
Koji Tsuda (The Univ. of Tokyo, Japan)
       Automatic design of functional molecules and materials with machine learning