Products
Contract Research Services
Advance your materials R&D with unrivaled technologies and expertise
Crystal Structure Prediction
De-risk your solid form selection process by identifying the most stable polymorph at room temperature
DeepAutoQSAR
Automated, scalable solution for the training and application of predictive machine learning models
Desmond
High-performance molecular dynamics (MD) engine providing high scalability, throughput, and scientific accuracy
Force Field Builder
Efficient tool for optimizing custom torsion parameters in OPLS4
Formulation ML
Automated machine learning solution to generate accurate formulation-property relationships and screen new formulations with desired properties
GA Optoelectronics
Design solution for novel molecular materials in optoelectronic applications based on a generative algorithm
Jaguar
Quantum mechanics solution for rapid and accurate prediction of molecular structures and properties
Jaguar Spectroscopy
Conformationally-dependent spectroscopic characterization based on quantum mechanics calculations
MS CG
Efficient coarse-grained (CG) molecular dynamics (MD) simulations for large systems over long time scales
MS Dielectric
Automatic workflow to calculate dielectric properties and refractive index
MS Force Field Applications
Cutting-edge force field technologies for accurate property predictions
MS Informatics
Automated machine learning tools for materials science applications
MS Mobility
Atomistic simulation and analysis of charge mobility in solid-state films of organic semiconductors
MS Penetrant Loading
Molecular dynamics (MD) modeling for predicting water loading and small molecule gas adsorption capacity of a condensed system
MS Reactive Interface Simulator
Generate physically relevant electrode-electrolyte interface morphologies for batteries
MS Reactivity
Automated workflows for design, optimization, and unsupervised mechanism discovery in molecular chemistry
MS Transport
Efficient molecular dynamics (MD) simulation tool for predicting liquid viscosity and diffusions of atoms and molecules
OLED Device ML
Machine learning solution to investigate relationships between the architecture and performance of OLED devices for accelerated screening
Quantum ESPRESSO Interface
Integrated graphical user interface for nanoscale quantum mechanical simulations
Services & Collaborations
Life science resources
Learn how to integrate Schrödinger technology into your research with molecular modeling training resources, curated by Schrödinger Education experts.
Materials science resources
Level-up your research with molecular modeling training resources, curated by Schrödinger Education experts.