Computational Design of Materials and Devices (CDMD)

Chairs: Vladimiro Mujica, Artem Oganov and Vladimir Skripnyak

Computational design of materials and devices provides a forum for researchers applying atomic scale computations to process, materials and device design for different areas of science and technology. Although the areas of application for atomic scale computation are diverse, the underlying principles, algorithms and techniques are similar. Materials and process simulation on atomic scale is currently a reality, rather than a domain of purely academic investigations. It is now routinely used in industrial R&D in materials design, processing, and chemical synthesis. For this symposium we seek submissions with application of atomic scale materials design to:

• Quantum simulation methods: cluster and periodic-type approaches;
• Classical methods: Monte Carlo, Molecular Dynamics, Potentials;
• Bridging atomic, meso and macro scale;
• Simulation of thin film deposition and growth;
• Simulation of surfaces and interfaces;
• Simulation of materials properties and defects;
• Computational materials for future electronics, photonics and renewable energy

The workshop is organized in collaboration with Computational Design of Materials and Devices, CDMD/ASDN center and network initiative, at Tomsk State University

Presenters include:

• Sergey Beznosyuk, Altai State University, Barnaul, Russia
  Quantum Mechanical Approaches to Computer Simulation Graphene-Metal Nanosystems
• Giacomo Giorgi, University of Perugia, Perugia, Italy
  Hybrid Organic-Inorganic Halide Perovskites: Dimensionality vs. Applicability. A Theoretical Standpoint
• Roman Kezerashvili, The City University of New York, New York, USA
  Superfluidity and Bose-Einstein Condensation in Two-dimensional Nanomaterials
• Alexander Kvashnin, Skolkovo Institute of Science and Technology, Moscow, Russia
  Computational materials discovery in various dimensionalities
• Luca Larcher, University of Modena, Modena, Italy
  Multiscale Modeling of Memristor Devices for Novel Memory and Logic System Architectures
• Vladimiro Mujica, Arizona State University, Tempe, Arizona, USA
  Chirality Effects in Molecular Electronics
• Maurizia Palummo, University of Rome Tor Vergata, Rome, Italy
  Opto-electronic Properties of 2D Materials with DFT + MBPT Approaches
• Alexander Shalumov, Research Institute ASONIKA, Moscow, Russia
  Computational Modeling of External Impact on Electronic Devices
• Koichi Yamashita, University of Tokyo, Tokyo, Japan
  Theoretical Study on Energy Conversion Processes of Perovskite Solar Cells

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