The 17th Asian Workshop on

First-Principles Electronic Structure Calculations

Nov. 2 - 5, 2014, Yonsei University, Seoul, Korea

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< Time Table >

   Sunday, Nov. 2, 2014

      6:30 PM -  8:00 PM, Reception

   Monday, Nov. 3, 2014

      9:00 AM -  9:10 AM, Opening session

      9:10 AM -  9:40 AM, Feng-Chuan Chuang (National Sun Yat-sen University)

             Prediction of Two Dimensional Topological Insulators in Honeycomb Structure

      9:40 AM - 10:25 AM, Andrew M. Rappe (University of Pennsylvania, USA)

             Using Electronic Structure Methods to Predict New Topological Materials

         break (10:25 AM - 10:50 AM)

     10:50 AM - 11:20 AM, Yuan Ping Feng (National University of Singapore)

             First-Principles Design of Spintronic Materials

     11:20 AM - 11:50 AM, Ji Hoon Shim (Pohang University of Science and Technology)

             Anisotropic Dirac Fermions in Bi Square Net System

     11:50 AM - 12:20 PM, Emi Minamitani (University of Tokyo)

             DFT+NRG Studies on Novel Kondo Effects in Single Molecules on Metal Surfaces

         Lunch break (12:20 PM - 2:00 PM)

      2:00 PM -  2:30 PM, Xin-Gao Gong (Fudan University)

             Computational Design and Understanding of Novel Solar Materials

      2:30 PM -  3:15 PM, Matthias Scheffler (Fritz Haber Institute, Germany)

             Big Data of Materials Science from First Principles - Critical Next Steps

         Poster session (3:15 PM - 4:30 PM)

      4:30 PM -  5:00 PM, Gun-Do Lee (Seoul National University)

             Stability and Dynamics of Defects and Dopants in Graphene

      5:00 PM -  5:30 PM, Kazuyuki Uchida (University of Tokyo)

             Ultra-Large Scale Density-Functional Calculations for Twisted Bilayer Graphenes

      5:30 PM -  6:00 PM, Gunn Kim (Sejong University)

             First-Principles Electronic Structure Calculations of Bilayer Graphene Strongly

                Coupled by Interlayer Stacking and External Fields

   Tuesday, Nov. 4, 2014

      9:00 AM -  9:30 AM, Ryotaro Arita (RIKEN)

             First-Principles Study on the Mott Transition and Superconductivity in Alkali-Doped


      9:30 AM - 10:15 AM, Feliciano Giustino (University of Oxford, UK)

             Quantum Nuclear Effects on the Electronic Structure of Molecules and Solids

         break (10:15 AM - 10:40 AM)

     10:40 AM - 11:10 AM, Kiyoyuki Terakura (National Institute of Advanced Industrial Science

                and Technology) Mechanism of Covalency Induced Polarization within Framework

                of Maximally Localized Wannier Orbitals

     11:10 AM - 11:40 AM, Yousung Jung (Korea Advanced Institute of Science and Technology)

             Modeling Non-Covalent Interactions in Density Functional Theory: Non-empirical

                and Empirical Approaches

     11:40 AM - 12:10 PM, Cheng-Rong Hsing (Academia Sinica)

             The Quantum Monte Carlo Studies of Low Dimensional Systems

         Lunch break (12:10 PM - 2:00 PM)

      2:00 PM -  2:30 PM, Xinguo Ren (University of Science and Technology of China)

             Beyond the GW Approximation: A Second-Order Screened Exchange Correction

      2:30 PM -  3:15 PM, Georg Kresse (University of Vienna, Austria)

             Diagrammatic Methods for Solids: True Ab-Initio Calculations

         Poster session (3:15 PM - 4:30 PM)

      4:30 PM -  5:00 PM, Sang Soo Han (Korea Institute of Science and Technology)

             Modern Alchemy: An Innovative Route for Designing Novel Functional Alloys

                based on First-Principles Calculations

      5:00 PM -  5:30 PM, Sheng Meng (Institute of Physics, Chinese Academy of Sciences)

             Electron Dynamics at Photovoltaic and Photocatalytic Interfaces

      5:30 PM -  6:00 PM, Fumiyasu Oba (Kyoto University)

             Point Defects in Functional Oxides and Nitrides: Understanding and Prediction

                toward Full Utilization of Material Functionalities

         Banquet (6:00 PM - 8:00 PM)

   Wednesday, Nov. 5, 2014

      9:00 AM -  9:30 AM, Kee Joo Chang (Korea Advanced Institute of Science and Technology)

             Inverse Design of Si Crystals with Direct Band Gaps

      9:30 AM - 10:00 AM, Taisuke Ozaki (University of Tokyo)

             Theoretical and Experimental Exploration of Two-Dimensional Silicon Structures

         break (10:00 AM - 10:20 AM)

     10:20 AM - 10:50 AM, Chih-Piao Chuu (Academia Sinica)

             Computational Studies of Two-Dimensional Graphene-like Materials

     10:50 AM - 11:20 AM, Yong-Sung Kim (Korea Research Institute of Standards and Science)

             Environment-Dependent Quasiparticle Bandgap and Properties of Point Defects

                in Single-Layer MoS2

     11:20 AM - 11:50 AM, Wei Ji (Renmin University of China)

             Few-Layer Black Phosphorus: A Promising 2D Electronic and Optical Material

     11:50 AM - noon, Closing session


Organized by Center for Computational Studies of Advanced Electronic Material Properties,

Korea Institute for Advanced Study (KIAS), Asia Pacific Center for Theoretical Physics (APCTP), 

BK21plus Institute of Physics and Applied Physics, Yonsei University,

Graphene Research Institute, Sejong University. Sponored by The Korean Physical Society.