Integrated platform supporting battery material development
Accelerating research and development of next-generation battery materials through atomic-level simulations and machine learning.
We would like to introduce Schrödinger's integrated platform that supports the development and analysis of next-generation battery materials. 【Product Features】 ■ Analysis of ion behavior within electrodes through quantum mechanical calculations ■ Analysis of the conduction mechanism of Li+ ions in polymer electrolytes using molecular dynamics simulations ■ Development of electrolytes through molecular simulations and machine learning *For more details, please refer to the PDF document or feel free to contact us.
basic information
Our computational chemistry platform is capable of addressing a wide range of materials research fields. ■ Prediction of physical properties through 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 ■ Prediction of physical properties 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 (PLS) regression/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
Price information
For more details, please feel free to contact us.
Delivery Time
Applications/Examples of results
For more details, please refer to the PDF document or feel free to contact us.
Related Videos
catalog（3）
Download All Catalogs
News about this product（4）
-
March 18 (Tuesday) Lecture at the 92nd Annual Meeting of the Electrochemical Society
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
-
November 20 (Wednesday) to 22 (Friday) - Presentation and Exhibition at the 65th Battery Conference
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!
-
June 4 (Tuesday) to June 7 (Friday) - Free Web Seminar: Introduction of case studies on simulation software for materials science and the use of materials informatics.
Schrödinger, Inc. will hold a materials science web seminar titled 'Schrodinger Materials Science Seminar Japan 2024' from June 4 (Tuesday) to June 7 (Friday). In recent years, computational chemistry has established itself as an essential foundational technology in the development of various materials, ranging from semiconductors and electronic components to everyday products. Since its founding in 1990, Schrödinger has continuously worked on enhancing software and informatics for molecular design, providing practical solutions for the efficiency of various material developments. We will be hosting a seminar to introduce case studies utilizing these software tools. The content will be satisfying for both those with experience in simulations and machine learning, as well as those who are just starting out. We welcome participation in any sessions of interest, so please feel free to join us.
-
November 28 (Tuesday) to November 30 (Thursday) - Presentation and Exhibition at the 64th Battery Symposium
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.
Recommended products
Distributors
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.