Utilization of the Schrödinger Platform at Panasonic
Towards the realization of faster new material development.
"By gaining access to Schrödinger's tools and unprecedented computational power, Panasonic Industry Co., Ltd.'s approach to innovation has changed." This article is based on an interview with Mr. Nobuyuki Matsuzawa, Principal Engineer at the Process Device Innovation Center of Panasonic Industry Co., Ltd. Please take a look. *For more details, please refer to the PDF document or feel free to contact us.*
basic information
Our Materials Science Suite is capable of addressing a wide range of materials research fields. ■ Property predictions using Density Functional Theory (DFT) calculations and first-principles calculations for 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 methods 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
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Applications/Examples of results
For more details, please refer to the PDF document or feel free to contact us.
