publication_type publication_year number author title event_name doi reported_at Presentation 2024 1 JALEM Randy, CHANDRAPPA Manas Likhit Holekevi, QI Ji, TATEYAMA Yoshitaka, ONG Shyue Ping Li dynamics study at grain boundaries of β-Li3PS4 solid electrolyte by nanoscale molecular dynamics simulations The 65th Battery Symposium in Japan 2025-07-09 09:47:15 +0900 Presentation 2024 2 JALEM Randy, TAKADA Kazunori, ONODERA Hitoshi, YOSHIDA Shuhei Li+ ion transport in pyrochlore-type Li2-xLa(1+x)/3Nb2O6F solid electrolytes by first-principles calculations The 65th Battery Symposium in Japan (第65回電池討論会) 2025-07-09 09:47:15 +0900 Presentation 2024 3 JALEM Randy Computational Design of Inverse-Perovskite-Type Solid Electrolytes by High-Throughput First-Principles Calculations and Multi-Objective Bayesian Optimization The 15th edition of the International Conference on Advanced Lithium Batteries for Automotive Applications (ABAA-15) 2025-07-09 09:47:15 +0900 Presentation 2023 1 JALEM Randy Theoretical study on the stability and synthesis of anion-substituted antiperovskite electrolytes The 64th Battery Symposium in Japan 2025-07-09 09:47:15 +0900 Presentation 2023 2 JALEM Randy Computational design of solid electrolytes for all-solid-state batteries by high-throughput first-principles calculations and machine learning techniques 第49回固体イオニクス討論会 2025-07-09 09:47:15 +0900 Presentation 2023 3 JALEM Randy My Education, Career and Life in Japan as a Computational Battery Researcher 13th CSJ Chemistry Festa 2025-07-09 09:47:15 +0900 Presentation 2023 4 JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu Designing Novel Antiperovskite-type Solid Electrolytes for All-solid-state Batteries by High-throughput DFT and Machine Learning IUMRS-International Conference on Advanced Materials & 11th International Conference on Materials for Advanced Technologies 2025-07-09 09:47:15 +0900 Presentation 2023 5 ルオン フー ドック, 徐 陳超, ハレム ランディ, 館山 佳尚 Evaluation of Battery Positive-electrode Performance with Ab-inito Simultaneous Calculations of the Electronic and Ionic Conductivities IUMRS-ICAM & ICMAT 2023 2025-07-09 09:47:15 +0900 Presentation 2023 6 館山 佳尚, 高 博, ハレム ランディ 酸化物固体電解質粒界における界面イオン伝導に関する第一原理MD解析 日本化学会第103春季年会へ移設シンポジウム　全固体電池のプロセスサイエンス 第2回シンポジウム 2025-07-09 09:47:15 +0900 Presentation 2022 1 館山 佳尚, 高 博, ハレム ランディ 第一原理MD計算によるガーネット型固体電解質材料の粒界Liイオン伝導とそのドーパント効果 第48回固体イオニクス討論会 2025-07-09 09:47:15 +0900 Presentation 2022 2 張 成燻, 館山 佳尚, ハレム ランディ 多段階ハイスループット計算によるナトリウム系硫化物固体電解質の物質設計 第48回固体イオニクス討論会 2025-07-09 09:47:15 +0900 Presentation 2022 3 館山 佳尚, 高 博, ハレム ランディ ガーネット型固体電解質材料の粒界イオン伝導とそのドーパント効果に関する第一原理MD解析 第63回電池討論会 2025-07-09 09:47:15 +0900 Presentation 2022 4 張 成燻, 館山 佳尚, ハレム ランディ 多段階ハイスループット計算による高イオン伝導度を持つナトリウム系硫化物固体電解質の予測 第63回電池討論会 2025-07-09 09:47:15 +0900 Presentation 2022 5 JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu Exploration of novel Li-rich inverse-perovskite-type solid electrolytes for all-solid-state batteries by DFT and machine-learning approaches The 10th International Conference on Multiscale Materials Modeling 2025-07-09 09:47:15 +0900 Presentation 2022 6 館山 佳尚, ハレム ランディ, 高 博, 佐々木 遼馬 第一原理計算による全固体電池固体電解質のイオン伝導解析 第83回応用物理学会秋季学術講演会 2025-07-09 09:47:15 +0900 Presentation 2021 1 JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu Exploration of Li-Rich Inorganic Compounds with Inverse Ruddlesden-Popper-Type Structure by First-Principles DFT Calculations for Solid Electrolyte Application in All-Solid-State Batteries 2021 MRS Fall Meeting and Exhibit 2025-07-09 09:47:15 +0900 Presentation 2021 2 JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu First-Principles DFT-based Computational Design of Novel Solid Electrolytes with Inverse Ruddlesden-Popper Tetragonal Structure for All-Solid-State Batteries 第62回電池討論会 2025-07-09 09:47:15 +0900 Presentation 2021 3 JALEM Randy My Education, Works and Life Experiences in Japan as a Computational Researcher 日本化学会秋季事業 第11回CSJ化学フェスタ2021 (11th CSJ Chemistry Festa) 2025-07-09 09:47:15 +0900 Presentation 2021 4 JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu DFT-Based Computational Design Of Inverse Ruddlesden-Popper-Type Solid Electrolytes For All-Solid-State Lithium Ion Battery Application International Union of Materials Research Societies – International Conference in Asia 2021 (IUMRS-ICA 2021) 2025-07-09 09:47:15 +0900 Presentation 2021 5 JALEM Randy, TATEYAMA Yoshitaka First-principles DFT study on the Na+ Superionic Conductivity in Cation-Doped Na3SbS4 Solid Electrolytes for All-Solid-State Batteries 72nd Annual Meeting of the International Society of Electrochemistry 2025-07-09 09:47:15 +0900 Presentation 2021 6 JALEM Randy Understanding the electrochemical stability and ion transport property of ceramic electrolytes in all-solid-state batteries from atomic-scale modeling 8th Ceramic Engineering Week, Mindanao State University - Iligan Institute of Technology, Philippines / https://msuiit.edu.ph/events/details.php?id=417&fbclid=IwAR22QwRwiXCFY-Y6qcr8XJ4MCZXrvVmDU8oswS5axbR4iUzd8ZSbWX_iUVE 2025-07-09 09:47:15 +0900 Presentation 2021 7 JALEM Randy, TATEYAMA Yoshitaka, TAKADA Kazunori, NAKAYAMA Masanobu Computational Design of Novel Solid Electrolytes with Inverse Ruddlesden-Popper Structures CECAM Flagship Workshop: Materials Design for Energy Storage and Conversion: Theory and Experiment 2025-07-09 09:47:15 +0900 Presentation 2021 8 JALEM Randy Computational design and exploration of novel solid electrolytes for all-solid state batteries by DFT and machine learning e-ASIA Joint Research Program Online Workshop on “Materials Informatics” 2025-07-09 09:47:15 +0900 Presentation 2020 1 高 博, ハレム ランディ, 館山 佳尚 ガーネット型Li7La3Zr2O12/Li金属負極界面の安定性・酸化還元に関する第一原理計算研究 第61回電池討論会 2025-07-09 09:47:15 +0900 Presentation 2020 2 ハレム ランディ, 高 博, 館山 佳尚 ヘテロ固固界面構造探索手法の開発と全固体電池界面への適用 日本セラミックス協会　第33回秋季シンポジウム 2025-07-09 09:47:15 +0900 Presentation 2020 3 JALEM Randy, TATEYAMA Yoshitaka First-principles study on electrode-contact chemical stability and Na ion dynamics of Na3SbS4 solid electrolyte for all-solid-state Na ion batteries 2020 APS March Meeting 2025-07-09 09:47:15 +0900 Presentation 2020 4 JALEM Randy Computational Search of Novel Solid Electrolytes for All-Solid-State Batteries by DFT and Bayesian Optimization "Batteries Gordon Research Conference https://www.grc.org/batteries-conference/2020/" 2025-07-09 09:47:15 +0900 Presentation 2019 1 JALEM Randy, TATEYAMA Yoshitaka, TAKEUCHI Ichiro, NAKAYAMA Masanobu Computational screening of novel solid electrolyte candidates for all-solid-state battery by high-throughput DFT and data science techniques Materials Research Meeting 2019 2025-07-09 09:47:15 +0900 Presentation 2019 2 高 博, ハレム ランディ, Yanming Ma, 館山 佳尚 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 2025-07-09 09:47:15 +0900 Presentation 2019 3 JALEM Randy DFT and informatics approaches for finding novel solid electrolytes for all-solid-state batteries 29th Annual Meeting of MRS-J 2025-07-09 09:47:15 +0900 Presentation 2019 4 高 博, ハレム ランディ, Yanming Ma, 館山 佳尚 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 (ACEPS-10) 2025-07-09 09:47:15 +0900 Presentation 2019 5 JALEM Randy, TATEYAMA Yoshitaka Insights on the electrode-contact stability and ion conduction mechanism in Na3SbS4 solid electrolyte by DFT-based calculations "The 10th Asian conference on Electrochemical Power Source 2019(ACEPS10) https://aceps10.org/index.php" 2025-07-09 09:47:15 +0900 Presentation 2019 6 TATEYAMA Yoshitaka, JALEM Randy DFT-based study on the electrode-contact stability and ion transport of Na3SbS4 solid electrolyte for all-solid-state batteries The 60th Battery Symposium in Japan 2025-07-09 09:47:15 +0900 Presentation 2019 7 高 博, ハレム ランディ, Yanming Ma, 館山 佳尚 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 (ASIAN-22) 2025-07-09 09:47:15 +0900 Presentation 2019 8 高 博, ハレム ランディ, 館山 佳尚 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) 2025-07-09 09:47:15 +0900 Presentation 2019 9 TATEYAMA Yoshitaka, JALEM Randy First-Principles Study on Na+ Ion Transport in Na3SbS4 Solid Electrolyte for All-Solid-State Na Ion Battery The 2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors 2025-07-09 09:47:15 +0900 Presentation 2019 10 JALEM Randy Exploring Material Spaces Using High-Throughput DFT Calculations and Bayesian Optimization for Discovery of All-Solid-State Battery Materials The 11th International Conference on the Science and Technology for Advanced Ceramics(STAC-11) 2025-07-09 09:47:15 +0900 Presentation 2019 11 高 博, ハレム ランディ, Yanming Ma, 館山 佳尚 Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method The 11th International Conference on the Science and Technology for Advanced Ceramics (STAC-11) 2025-07-09 09:47:15 +0900 Presentation 2019 12 JALEM Randy Combined Methods from High-Throughput Density Functional Theory and Materials Informatics to Efficiently Find Novel Solid Electrolyte Candidates for All-Solid-State Battery Application Accelerating material discovery by smart high-throughput computations 2025-07-09 09:47:15 +0900 Presentation 2019 13 JALEM Randy Approaches and Challenges in Finding Promising Novel Solid Electrolytes for All-Solid-State Battery Application by Materials Simulations and Machine Learning Techniques "第44回 MaDIS研究交流会 https://www.nims.go.jp/research/MaDIS/events/hdfqf100000fixxf.html" 2025-07-09 09:47:15 +0900 Presentation 2019 14 TATEYAMA Yoshitaka, JALEM Randy DFT computational study on stability and ion diffusion in Na3SbS4 solid electrolyte for all-solid-state batteries the 22nd International Conference on Solid State Ionics (SSI-22) 2025-07-09 09:47:15 +0900 Presentation 2019 15 館山 佳尚, 高 博, ハレム ランディ, Yanming Ma DFT Studies on Li-Ions Around Electrode-Solid Electrolyte Interfaces via Efficient Structure Search Techniques 2019 MRS Spring Meeting & Exhibit 2025-07-09 09:47:15 +0900 Presentation 2019 16 高 博, ハレム ランディ, Yanmimg Ma, 館山 佳尚 First-principles study on electrode – solid electrolyte interfaces in solid-state battery via efficient structure prediction method APS March Meeting 2019 2025-07-09 09:47:15 +0900 Presentation 2019 17 ハレム ランディ, 金森研太, 竹内 一郎, 館山 佳尚, 中山 将伸 Finding Novel Fast Ionic Conductors Using Combined Techniques from Density Functional Theory and Materials Informatics APS March Meeting 2019 2025-07-09 09:47:15 +0900 Presentation 2018 1 ハレム ランディ, 中山 将伸 材料シミュレーションとベイズ最適化を用いた全固体電池材料の探索 分子科学研究所 ポスト「京」重点課題５ 第５回公開シンポジウム 2025-07-09 09:47:15 +0900 Presentation 2018 2 シュクリ ガネス, ハレム ランディ, 館山 佳尚 Surface Orientation Dependence of Oxygen Vacancy and Ni/Li Cation Mixing Defects Formation in Li(Ni0.8Co0.1Mn0.1)O2 Cathode Materials 2018 Materials Research Society Fall Meeting 2025-07-09 09:47:15 +0900 Presentation 2018 3 ハレム ランディ, 金森研太, 竹内一郎, 館山 佳尚, 中山 将伸 Efficient search of novel ion conductive ceramics by combining first-principles calculations and materials informatics The 22nd International Symposium on Batteries, Fuel Cells, and Capacitors - The 59th Battery Symposium in Japan 2025-07-09 09:47:15 +0900 Presentation 2018 4 シュクリ ガネス, ハレム ランディ, 館山 佳尚 層状構造を持つLi(NixCoyMnz)O2正極材料の表面欠陥に関する第一原理計算解析 第59回電池討論会 2025-07-09 09:47:15 +0900 Presentation 2018 5 高 博, ハレム ランディ, Yamming Ma, 館山 佳尚 Investigation of Interface Reaction between LiCoO2 and Sulfide Electrolyte in an All-Solid-State Battery from First-Principle Structure Prediction Method 第59回電池討論会 2025-07-09 09:47:15 +0900 Presentation 2018 6 シュクリ ガネス, 館山 佳尚, ハレム ランディ DFT Investigations of Surface Defects in Li(NixCoyMnz)O2 Layered Materials: Promising Cathode for Next Generation Battery 14th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures (ACSIN-14) 2025-07-09 09:47:15 +0900 Presentation 2018 7 高 博, ハレム ランディ, Yanming Ma, 館山 佳尚 Structure Search and Property Analysis of Interfaces between LiCoO2 Cathode and Sulfide Electrolyte in Solid-State Battery via DFT-CALYPSO Method International Workshop COMDI2018 2025-07-09 09:47:15 +0900 Presentation 2018 8 ハレム ランディ, 夏目亮祐, 中山 将伸 第一原理計算を用いたNa3Ti2P2O10FのNaイオン電導特性の調査 The 19th International Meeting on Lithium Batteries (IMLB2018) 2025-07-09 09:47:15 +0900 Presentation 2018 9 ハレム ランディ, 館山 佳尚, 中山 将伸 Combining Materials Modelling and Informatics Techniques for Efficient Search of Fast Lithium Ionic Conductors for All-Solid-State Battery Application International Battery Seminar and Exhibit 2025-07-09 09:47:15 +0900 Presentation 2018 10 ハレム ランディ, 夏目亮祐, 中山 将伸 First-principles Investigation on Oxyfluorinated Titanium(IV) Phosphate Na3Ti2P2O10F Anode Material for Sodium Ion Batteries International Battery Association (IBA 2018) 2025-07-09 09:47:15 +0900 Presentation 2018 11 ハレム ランディ 材料シミュレーションとマテリアルズ・ インフォマティクスによる全固体電池材料の探索 第17回 GREENシンポジウム 2025-07-09 09:47:15 +0900 Presentation 2017 1 ハレム ランディ, 夏目亮祐, 中山 将伸 Computational Study on the Ion Transport Properties of Garnet-Type Solid Electrolytes with Conduction-Pathway-Blocking Cation Dopants 43th Symposium on Solid State Ionics in Japan 2025-07-09 09:47:15 +0900 Presentation 2017 2 ハレム ランディ, 中山 将伸 Informatics-aided DFT-based Solid Electrolyte Search for Rechargeable Battery Application Car-Parrinello Molecular Dynamics in 2017 (CPMD2017) Workshop 2025-07-09 09:47:15 +0900 Presentation 2017 3 ハレム ランディ, 中山 将伸 Electrochemical Stability, Li Ion Transport Behavior, and Doping of Garnet Oxide Electrolytes 1st World Conference on Solid Electrolytes for Advanced Applicat 2025-07-09 09:47:15 +0900 Presentation 2017 4 ハレム ランディ, 中山 将伸 Li-Ion Transport Process, Doping Effects, and Stability in Garnet-Type Solid Electrolytes: Insights from Computations and Experiments 21st International Conference on Solid State Ionics 2025-07-09 09:47:15 +0900 Presentation 2017 5 ハレム ランディ, 森下泰行, 岡島宇史, 近藤祐生, 武田はやみ, 中山 将伸 Experimental and Computational Investigation on the Crystal Structure, Stability, and Li Ion Conductivity of Undoped and Doped Garnet-Type Solid Electrolytes 231st ECS Meeting 2025-07-09 09:47:15 +0900 Presentation 2016 1 ハレム ランディ, 中山将信 情報科学 を用いたリチウムイオン電池の酸化物におけるリチウムイオン拡散の計算 Materials Challenges in Alternative and Renewable Energy 2016 2025-07-09 09:47:15 +0900 Presentation 2016 2 ハレム ランディ, 中山 将伸 リチウムイオン導電性ガーネット型酸化物のカーボンに対する安定性の調査 電気化学会第83回大会 2025-07-09 09:47:15 +0900 Presentation 2016 3 ハレム ランディ, 中山 将伸 DFTとインフォーマティックスを用いた酸化物材料のイオン輸送特性の調査 The Ceramic Society of Japan Annual Meeting 2016 2025-07-09 09:47:15 +0900 Presentation 2016 4 ハレム ランディ, 中山 将伸 分子動力学シミュレーション法を用いたドープしたガーネト型固体電解質のリチウムイオン伝導性の調査 EMN Meeting on Ceramics 2016 2025-07-09 09:47:15 +0900 Presentation 2015 1 ハレム ランディ, 中山 将伸 Materials Simulation-Based Investigation on the Effects of Pathway-Non-Blocking and Pathway-Blocking Dopants in Garnet-Type Solid Electrolytes 2015 MRS Fall Meeting & Exhibit 2025-07-09 09:47:15 +0900 Presentation 2015 2 ハレム ランディ, 中山 将伸 第一原理計算と情報科学を用いたオリビン型構造とタボライト型構造のリチウムイオン移動エネルギーによる効率的スクリーニング 2015 MRS Fall Meeting & Exhibit 2025-07-09 09:47:15 +0900 Presentation 2015 3 ハレム ランディ, 中山 将伸 Li Ion Transport Investigation of Garnet-Type Li7-xLa3[Zr2-xTax]O12 and [Li7-3xGax]La3Zr2O12 Solid Electrolytes by Molecular Dynamics Simulation The 56th Battery Symposium in Japan 2025-07-09 09:47:15 +0900 Presentation 2015 4 ハレム ランディ, 中山 将伸 Materials Simulation-based Investigation on the Effects of Pathway-non-Blocking and Pathway-Blocking Dopants in Garnet-Type Solid Electrolytes 第2回東北大＆GREEN合同シンポジウム 2025-07-09 09:47:15 +0900 Presentation 2015 5 ハレム ランディ, Masanobu Nakayama An efficient rule-based screening approach for discovering fast ion conductors using density functional theory and informatics Energy Materials Nanotechnology (EMN) Meeting 2015 2025-07-09 09:47:15 +0900