"Si, Q.,Matsuda, S.,Yamaji, Y.,Momma, T.,Yoshitaka Tateyama","Data-Driven Cycle Life Prediction of Lithium Metal-Based Rechargeable Battery Based on Discharge/Charge Capacity and Relaxation Features",,"Advanced Science",,,,,2024,June
"Konuma, I.,Ikeda, N.,Camp?on, B.D.L.,Fujimura, H.,Kikkawa, J.,Luong, H.D.,Yoshitaka Tateyama,Ugata, Y.,Yonemura, M.,Ishigaki, T.,Aida, T.,Yabuuchi, N.","Unified understanding and mitigation of detrimental phase transition in cobalt-free LiNiO<sub>2</sub>",,"Energy Storage Materials",,"Vol. 66",,,2024,Jan.
"Zhou, Z.,Cazorla, C.,Gao, B.,Luong, H.D.,Momma, T.,Yoshitaka Tateyama","First-Principles Study on the Interplay of Strain and State-of-Charge with Li-Ion Diffusion in the Battery Cathode Material LiCoO<sub>2</sub>",,"ACS Applied Materials and Interfaces",,"Vol. 15","No. 46","pp. 53614-53622",2023,Nov.
"Jalem, R.,Chandrappa, M.L.H.,Qi, J.,Yoshitaka Tateyama,Ong, S.P.","Lithium dynamics at grain boundaries of β-Li<sub>3</sub>PS<sub>4</sub> solid electrolyte",,"Energy Advances",,"Vol. 2","No. 12","pp. 2029-2041",2023,Oct.
"Zhou, W.,Xu, C.,Gao, B.,Nakayama, M.,Yagi, S.,Yoshitaka Tateyama","Glyme Solvent Decomposition on Spinel Cathode Surface in Magnesium Battery",,"ACS Energy Letters",,"Vol. 8","No. 10","pp. 4113-4118",2023,Sept.
"佐々木 遼馬,一杉 太郎,館山 佳尚","非平衡MD法による固体電解質のイオン相関を考慮したイオン伝導度計算の高速化","第17回分子科学討論会",,,,,,2023,Sept.
"Jalem, R.,Yoshitaka Tateyama,Takada, K.,Jang, S.-H.","Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods",,"Journal of Physical Chemistry C",,"Vol. 127","No. 35","pp. 17307-17323",2023,Aug.
"Yoshitaka Tateyama,Kagatsume, A.,Yao, M.,Matsuda, S.,Uosaki, K.","Exploration of Organic Cathode Active Materials with High Energy Densities for Li-Ion Batteries via First-Principles Calculations",,"Journal of Physical Chemistry C",,"Vol. 127","No. 27","pp. 12867-12873",2023,July
"Jang, S.-H.,Jalem, R.,Yoshitaka Tateyama","EwaldSolidSolution: A High-Throughput Application to Quickly Sample Stable Site Arrangements for Ionic Solid Solutions",,"Journal of Physical Chemistry A",,"Vol. 127","No. 27","pp. 5734-5744",2023,June
"館山 佳尚,張 成燻,JALEM Randy","第一原理計算を基軸とした高イオン伝導度固体電解質のハイスループット探索と記述子抽出",,"電気化学","公益社団法人 電気化学会","Vol. 91","No. 2","pp. 150-154",2023,May
"Mandai, T.,Yao, M.,Sodeyama, K.,Kagatsume, A.,Yoshitaka Tateyama,Imai, H.","Toward Improved Anodic Stability of Ether-Based Electrolytes for Rechargeable Magnesium Batteries",,"Journal of Physical Chemistry C",,"Vol. 127","No. 22","pp. 10419-10433",2023,May
"Luong, H.D.,Xu, C.,Jalem, R.,Yoshitaka Tateyama","Evaluation of battery positive-electrode performance with simultaneous ab-initio calculations of both electronic and ionic conductivities",,"Journal of Power Sources",,"Vol. 569",,"  232969",2023,Apr.
"Ryoma Sasaki,Bo Gao,Taro Hitosugi,Yoshitaka Tateyama","Nonequilibrium molecular dynamics for accelerated computation of ion?ion correlated conductivity beyond Nernst?Einstein limitation",,"npj Computational Materials",,"  9",,"  48",2023,Apr.
"Yamada, H.,Ohara, K.,Hiroi, S.,Sakuda, A.,Ikeda, K.,Ohkubo, T.,Nakada, K.,Tsukasaki, H.,Nakajima, H.,Temleitner, L.,Pusztai, L.,Ariga, S.,Matsuo, A.,Ding, J.,Nakano, T.,Kimura, T.,Kobayashi, R.,Usuki, T.,Tahara, S.,Amezawa, K.,Yoshitaka Tateyama,Mori, S.,Hayashi, A.","Lithium Ion Transport Environment by Molecular Vibrations in Ion-Conducting Glasses",,"Energy and Environmental Materials",,"Vol. 7","No. 3","  e12612",2023,Mar.
"Jang, S.-H.,Yoshitaka Tateyama,Jalem, R.","High-Throughput Data-Driven Prediction of Stable High-Performance Na-Ion Sulfide Solid Electrolytes",,"Advanced Functional Materials",,"Vol. 32","No. 48","  2206036",2022,Sept.
"Yuuki Sugawara,Keigo Kamata,Atsushi Ishikawa,Yoshitaka Tateyama,Takeo Yamaguchi","Efficient Oxygen Evolution Electrocatalysis on CaFe2O4 and Its Reaction Mechanism",,"ACS Applied Energy Materials",,"Vol. 4","No. 4","pp. 3057?3066",2021,Feb.
"Atsushi Ishikawa,Yoshitaka Tateyama","First-Principles Microkinetic Analysis of NO + CO Reactions on Rh(111) Surface toward Understanding NO<i><sub>x</sub></i> Reduction Pathways",,"The Journal of Physical Chemistry C","American Chemical Society (ACS)","Vol. 122","No. 30","pp. 17378-17388",2018,July
"Yoshitaka Tateyama,Ogitsu, T.,Kusakabe, K.,Tsuneyuki, S.,Itoh, S.","Proposed synthesis path for heterodiamond BC2N",,"Physical Review B - Condensed Matter and Materials Physics",,"Vol. 55","No. 16","pp. R10161-R10164",1997,Apr.
"Yoshitaka Tateyama,Ogitsu, T.,Kusakabe, K.,Tsuneyuki, S.","Constant-pressure first-principles studies on the transition states of the graphite-diamond transformation",,"Physical Review B - Condensed Matter and Materials Physics",,"Vol. 54","No. 21","pp. 14994-15001",1996,Dec.