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Integrated platform to support the development/analysis of semiconductor-related technologies.

An integrated platform that supports the development/analysis of semiconductors and related technologies with high speed and high precision.

We will clearly introduce Schrödinger's integrated platform that supports the development/analysis of semiconductors and related technologies. 【Product Overview】 ■ Prediction and analysis of semiconductor physical properties using quantum mechanical calculations - Electronic properties - Mechanical properties (elastic constant tensor, bulk modulus) - Dielectric properties - Reaction pathway exploration ■ Optimization of semiconductor film deposition processes (CVD, ALD, ALE) - Development of new precursors using quantum mechanical calculations and machine learning ■ Optimization of semiconductor packaging using classical molecular dynamics calculations - Construction of cross-linked structure models for resin encapsulants - Prediction of heat resistance through calculations of glass transition temperature - Prediction of gas barrier properties through calculations of absorption rates and diffusion coefficients of water and gas molecules - Analysis of physical property changes during the absorption of water/gas molecules *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. ■ Property prediction 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 ■ Property prediction 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.

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Applications/Examples of results

For more details, please refer to the PDF document or feel free to contact 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.