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  6. [User Case Presentation] Development of Next-Generation Lithium-Ion Batteries

[User Case Presentation] Development of Next-Generation Lithium-Ion Batteries

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last updated:Oct 01, 2025

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We will introduce a case of innovative material search implemented in the development of next-generation lithium-ion batteries by the CEO of Eonix.

Eonix is a startup focused on the rapid design of next-generation materials for energy storage technologies targeting home appliances, grid storage, and electric vehicles. CEO Don DeRosa, Ph.D., explains how combining high-throughput screening and physics-based modeling can transform the material discovery process for building better batteries.

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Eonix

[User Case Presentation] Development of Next-Generation Lithium-Ion Batteries

Eonix collaboration blog.jpg
Eonix collaboration blog.jpg
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Our Materials Science Suite can accommodate a wide range of materials research fields. ■ Property predictions using Density Functional Theory (DFT) calculations and first-principles calculations in periodic systems HOMO/LUMO/pKa/solvent effects/IR/Raman/UV-vis/VCD/NMR/oxidation/reduction potential/triplet excited state energy/TADF S1-Tx gap/fluorescence/phosphorescence/vibrational calculations/structure optimization/transition state calculations/reaction pathway analysis/adsorption energy/bond dissociation energy/electron and hole mobility/reorientation (rearrangement, reconfiguration) energy ■ Property predictions using Molecular Mechanics (MM), Molecular Dynamics (MD), and Coarse-Grained MD Density/conformation analysis/cross-linked structures/Young's modulus/viscosity/surface tension/glass transition temperature (Tg)/molecular diffusion/thermal expansion/crystal morphology/swelling/stress-strain curves/solubility parameters Methods available for use in machine learning Generation of various descriptors and fingerprints/Partial Least Squares regression (PLS)/Multiple Linear Regression (MLR)/Principal Component Regression (PCR)/Kernel PLS/Bayesian classification/Recursive Partitioning (RP) analysis/Self-Organizing Maps/Tg, dielectric constant, boiling point, vapor pressure prediction models/genetic algorithms/active learning

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[User Case] Next-Generation Lithium-Ion Battery Development

[User Case] Next-Generation Lithium-Ion Battery Development

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[Case Studies] Batteries and Energy Storage Materials

[Case Studies] Batteries and Energy Storage Materials

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[Japanese Brochure] Integrated Platform Supporting Battery Material Development

[Japanese Brochure] Integrated Platform Supporting Battery Material Development

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March 18 (Tuesday) Lecture at the 92nd Annual Meeting of the Electrochemical Society

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Schrödinger Co., Ltd. will give a presentation at the 92nd Annual Meeting of the Electrochemical Society from March 18 (Tuesday) to March 20 (Thursday). Date and Time: March 18 (Tuesday) 15:00 - 15:45 Location: Tokyo University of Agriculture and Technology, Koganei Campus, G1234 (Lecture Building 0024) Title: "Analysis of the Anode-Electrolyte Interface in Lithium-Ion Batteries" Speaker: Fumihiro Imoto

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November 20 (Wednesday) to 22 (Friday) - Presentation and Exhibition at the 65th Battery Conference

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Schrödinger Co., Ltd. will be presenting and exhibiting at the 65th Battery Symposium from November 20 (Wednesday) to November 22 (Friday). 【Presentation】 Date and Time: November 20 (Wednesday) 13:20 - 13:40 Location: Kyoto International Conference Center, Hall D (1st Floor/Main Building, Room D) Title: "Analysis of the Anode-Electrolyte Interface in Lithium-Ion Batteries" We hope to see you there!

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November 28 (Tuesday) to November 30 (Thursday) - Presentation and Exhibition at the 64th Battery Symposium

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Schrödinger Co., Ltd. will be presenting and exhibiting at the 64th Battery Symposium from November 28 (Tuesday) to November 30 (Thursday). 【Presentation】 Date and Time: November 29 (Wednesday) 10:40 AM - 11:00 AM Location: Osaka International Convention Center (Grand Cube Osaka) 10F Room G (1008) Title: "Analysis of the Initial Process of SEI Formation in Lithium-Ion Batteries" We look forward to your visit.

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Secondary Battery Exhibition [Autumn] @ Makuhari! Next-Generation Battery Development × MI

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Schrödinger, Inc. will be exhibiting at the 2nd [International] Secondary Battery Expo - 2nd Smart Energy Week [Autumn] (August 31 - September 2, Makuhari Messe). * At our exhibition booth, we will hold short seminars on battery development using the 'Materials Science Suite' and materials informatics utilizing 'LiveDesign.' Additionally, you will have the opportunity to experience each software firsthand. * Exhibition Information Exhibition Name: 2nd [International] Secondary Battery Expo - 2nd Smart Energy Week [Autumn] Venue: Makuhari Messe Booth Number: E13-13 We invite you to visit us!

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Schrödinger Co., Ltd. is the Japanese subsidiary of Schrödinger Inc., headquartered in New York, USA. Schrödinger has a history of about 30 years in developing software that integrates advanced technologies in chemistry and computer science, primarily in the fields of materials science and life sciences, providing advanced solutions for drug discovery, biologics, and materials research and development.

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