********************************************************************* [分子科学会速報20-045] Pacifichem 2020シンポジウムのご案内 ********************************************************************* 速報発信者：岡本祐幸（名古屋大学大学院理学研究科 物質理学専攻（物理系）） Pacifichem 2020シンポジウムのご案内 分子科学会会員各位 本年12月、ハワイで開催されるPacifichem2020（12月15日〜20日） にて、古典力学に基づく分子シミュレーションと量子力学に基づく分子 シミュレーションの融合に関する計算化学と理論化学のセッションの以下の シンポジウムを開催しますので、皆様の口頭およびポスターの発表を歓迎 いたします。なお、口頭発表の希望者が多数の場合は、口頭発表を希望され てもポスター発表をお願いさせていただく可能性がございますのでご理解を お願いします。 岡本祐幸（名大理） ===================================================================== Fusion of classical‐ and quantum‐mechanical molecular simulations (#206) Organizers: Dmitri Fedorov (AIST, Japan) Stephan Irle (ORNL, USA) Yuko Okamoto (Nagoya University, Japan) Dennis Salahub (University of Calgary, Canada) 日時： 口頭： 2020年12月15日（火）Day 16日（水）Day and Evening ポスター：2020年12月17日（木）Morning 場所：Hawaii Convention Center シンポジウム概要： Molecular simulation techniques based on quantum mechanics and classical mechanics for interatomic interactions have been developed with relatively weak overlap and little interaction between the scientists working in either field. However, it is now increasingly common to have these two research communities influence each other. Molecular simulations techniques have especially matured in combination with the computationally more economical classical mechanics force fields, generating a large body of expertise with conformational sampling methods. These methods are now being explored in simulations based on quantum mechanical potentials evaluated on the fly for electronic ground as well as excited states, while quantum chemists are starting to develop new generation force fields based on quantum mechanics. Traditionally, there has been little interaction between biophysicists and materials scientists. Moreover, machine learning is recently being increasingly used for improving the accuracy of potentials. In this Symposium we aim to bring together researchers in different communities to facilitate an exchange of methodologies, expertise, and ideas for a mutual benefit. アブストラクト投稿サイト： https://pacifichem2020.abstractcentral.com/ 発表申込締切: 2020年4月1日（水） 招待講演者： Yuri Alexeev (Argonne Natl Lab, USA) Bernard Brooks (NIH, USA) Richard Bryce (Univ. of Manchester, UK) Patrizia Calaminici (Inst. Politecnico Nacional, Mexico) Qiang Cui (Boston Univ., USA) Aurelien de la Lande (CNRS, Orsay, France) Dmitri Fedorov (AIST, Japan) Jiali Gao (Univ. of Minnesota, USA) Mark Gordon (Iowa State Univ., USA) Martin Head-Gordon (UC Berkeley, USA) Stephen Irle (ORNL, USA) Gang Seob Jung (ORNL, USA) Andreas Koster (Inst. Politecnico Nacional, Mexico) Ayori Mitsutake (Meiji Univ., Japan) Masataka Nagaoka (Nagoya Univ., Japan) Yoshifumi Nishimura (Waseda Univ., Japan) Sergei Noskov (Univ. of Calgary, Canada) Yuko Okamoto (Nagoya Univ., Japan) Young Min Rhee (KAIST, Korea) Dennis Salahub (University of Calgary, Canada) John Straub (Boston Univ., USA) Yuji Sugita (RIKEN, Japan) Huai Sun (Shanghai Jiao Tong Univ., China) Yoshitaka Tateyama (NIMS, Japan) Weitao Yang (Duke Univ., USA) Darrin York (Rutgers Univ., USA) ===================================================================== ********************************************************************* 分子科学会速報 発行：分子科学会 http://www.molsci.jp/index.html 速報投稿規程等は下記をご覧下さい。 http://www.molsci.jp/bulletin.html ********************************************************************* Ocean Opticsの小型で低価格な分光器 デモ機貸出しも可能。お問い合わせは↓ オーシャンフォトニクス株式会社 http://www.oceanphotonics.com *********************************************************************