TBA

[Poster] Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama, “Microscope mechanism of Li-ion transport at Interfaces between LiCoO2 Cathode and Sulfide Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method”, Materials research meeting 2019, MRS-Japan, Yokohama symposia, Yokohama, 2019/12/10-2019/12/14

[Oral] Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama, “Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method”, The 10th Asian Conference on Electrochemical Power Sources 2019, The organizing committee of ACEPS-10, Kaohsiung Exhibition Center, Kaohsiung, Taiwan, 2019/11/24-2019/11/27

[Poster] Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama, “Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method”, The 22nd Asian Workshop on First-Principles Electronic Structure Calculations, The organizing committee of Asian-22, Osaka University Hall, Osaka, Japan, 2019/10/28-2019/10/30

[Poster] Atsushi Ishikawa and Yoshitaka Tateyama, “The Oxidative Coupling of Methane Catalyzed by MgO; A First-Principle Based Microkinetics and Ab-initio Molecular　Dynamics Study”, Asian-22, Osaka University, Osaka, 2019/10/28-2019/10/30

[Poster] Yong Youn, Miso Lee, Changho Hong, Doyeon Kim, Kanghoon Yim, Yoshitaka Tateyama, “AMP2: A Package for Automated Ab-initio Calculation for Crystalline Materials”, The 22nd Asian Workshop on First-Principles Electronic structure Calculation, Asian-22, Osaka University Hall, Osaka, 2019/10/28-2019/10/30

[Poster] Xichan Gao, Yoshitaka Tateyama, Kazuto Akagi, “Force Field Parameterization using Genetic Algorithm for Lithium-Ion Battery Applications”, The 22nd Asian Workshop on First-Principles Electronic Structure Calculations, Osaka University, Osaka, 2019/10/28-2019/10/30

[Poster] Xichan Gao, Yoshitaka Tateyama, Kazuto Akagi, “Genetic Algorithm Based Force Field Parameterization for Lithium-Ion Battery Applications”, 計算物質科学人材育成コンソーシアム（PCoMS）シンポジウム, 計算物質科学人材育成コンソーシアム(PCoMS), Tohoku University, Sendai, 2019/10/24-2019/10/25

[Poster] Bo Gao, Randy Jalem, Yoshitaka Tateyama, “Atomic-scale insight into surface morphology and stability of interface between garnet Li7La3Zr2O12 and Li metal from first principles”, 2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors (Garnet2019), Organizing Committee of Garnet 2019, Shizuoka Convention & Arts Center, Shizuoka, 2019/09/24-2019/09/27

[Oral] Atsushi Ishikawa and Yoshitaka Tateyama, “Density Functional Theory-Based Microkinetic Analysis of Oxidative Coupling of Methane Catalyzed by Pure and Lithium-Doped Magnesium Oxide”, EuropaCat2019, Dechema, Eurogress Aahen, Germany, 2019/08/18-2019/08/23

[Oral] Atsushi Ishikawa and Yoshitaka Tateyama, “Density functional theory-based microkinetic analysis of oxidative coupling of methane catalyzed by pure and lithium-doped magnesium oxide” APCAT-8, Central Grand and Bangkok Conference Center, Bangkok, Thailand, 2019/08/04-2019/08/07

[Poster] Ashu Choudhary, Keitaro Sodeyama, Yoshitaka Tateyama, “Effects of Magnesium-Organo-Haloaluminate complex in Magnesium Ion Battery electrolytes: A Car-Parrinello Molecular Dynamics (CPMD) Study”, CPMD Meeting 2019 - Pushing the Boundaries of Molecular Dynamics, CECAM Hedquarters, Lausanne, Switzerland, 2019/07/22-2019/07/24

[Oral] Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama, “Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method”, The eleventh International Conference on the Science and Technology for Advanced Ceramics (STAC-11), Organization Committee of STAC-11, Tsukuba International Congress Center, Tsukuba, 2019/07/09-2019/07/11

[Oral] Atsushi Ishikawa, Yoshitaka Tateyama, “NO + CO Reaction on Rh Surface: DFT Investigation Combined with Microkinetic Analysis”, Spring 2019 ACS National Meeting, American chemical society, Orange County Convention Center, Orland, Florida, USA, 2019/03/30-2019/04/04

[Poster] 石川敦之, 館山佳尚, “第一原理計算と微視的反応速度論に基づいた理論計算によるメタン酸化カップリングの活性および選択性の理論予測”, 第123回触媒討論会, 触媒学会, Osaka city University, Osaka, 2019/03/20-2019/03/21

[Oral] Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama, “First-principles study on electrode - solid electrolyte interfaces in solid-state battery via efficient structure prediction method”, APS March Meeting 2019, American Physical Society, Boston Convention and Exhibition Center (BCEC), Boston, United States, 2019/03/04-2019/03/08