Designing the next generation of materials starts at the molecular level.

Our molecular modeling platform enables the prediction of better properties for better materials.

Materials science

Solutions for diverse materials science R&D applications

Organic Electronics

Organic Electronics

Discover optimal organic electronic materials with good conductivity, mechanical and thermal stability, and suitable for fabrication.

  • Accurately predict key optoelectronic properties
  • Run high-throughput screening for rapid design and discovery of advanced materials
  • Leverage easy-to-use, automated workflows backed by expert scientific support
Polymeric Materials

Polymeric Materials

Understand and predict product performance through simulations of polymers at molecular and atomic scale.

  • Accurately predict chemical reactivity, polymer morphology, and key physicochemical properties
  • Design new polymers, screen formulations, and optimize manufacturing
  • Leverage easy to use, automated workflows for discovery and optimization
Consumer Packaged Goods

Consumer Packaged Goods

Harness molecular simulation to accelerate innovation for consumer goods

  • Predict key performance indicators for consumer products
  • Build and simulate complex molecular systems that directly relate to product formulas
  • Leverage easy-to-use, automated solutions backed by expert scientific support
Catalysis and Reactivity Lithium EC Cluster

Catalysis & Reactivity

Accelerate the discovery of the next generation of catalytic and non-catalytic processes.

  • Run automated workflows for high-throughput discovery of novel catalysts and reactants
  • Elucidate the details of reactivity, selectivity, and specificity
  • Leverage a collaborative enterprise platform for novel materials discovery
Thin Film Processing

Thin Film Processing

Optimize atomic level processing for the semiconductor industry and improve device performance.

  • Accurately predict surface reactivity to optimize deposition or etch processes
  • Validated prediction of precursor volatility by machine learning
  • Leverage efficient simulation tools for the design of novel chemicals for materials processing
Energy Capture Storage

Energy Capture & Storage

Accelerate the development of cleaner, lighter, safer, and more energy-efficient materials for batteries, fuel cells and photovoltaics.

  • Predict key properties for batteries, fuel cells, photovoltaics, and hydrogen storage R&D
  • Simulate and analyze critical properties of component materials and interfaces
  • Enumerate and explore vast chemical space using streamlined workflows
Optimize Drug Formulation Process

Pharmaceutical Formulations & Delivery

Optimize your pharmaceutical at the molecular level with smart, strategic drug formulation

  • Characterize and optimize drug formulations and delivery
  • Understand drug stability and reactivity
  • De-risk your solid form selection process by identifying the most stable polymorph at room temperature
Metals, Alloys & Ceramics

Metals, Alloys & Ceramics

Enable the design of high-performance inorganic materials with highly efficient multiscale simulations and cheminformatics machine learning models.

  • Accurately predict key properties (structures, morphologies, and compositions) for inorganic materials
  • Enhance your materials analysis capabilities

Use Cases

Explore how teams can apply Schrödinger technology to accomplish their work across industries.

Use Cases by Industry
Oil & Gas
Consumer Packaged Goods
Specialty Chemicals
Biotechs & Pharmaceuticals
Use Cases by Team Functions
Computational Chemistry
Experimental Chemistry
Materials Engineering
Research IT
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The leading computational platform for molecular design and discovery

Computational platform for molecular design and discovery
Grounded in physics-based molecular modeling
Grounded in physics-based molecular modeling
Amplified by state-of-the-art machine learning
Amplified by state-of-the-art machine learning
Democratized across teams through collaborative enterprise informatics
Democratized across teams through collaborative enterprise informatics
Featured Product

MS Microkinetics

MS Microkinetics is an effective tool for calculating the overall kinetics of a network of surface reactions, which can be used to optimize reaction conditions and to identify reactivity bottlenecks.

Upcoming Events

  • Materials Science
  • Conference

Institute of Food Technologists Conference

Schrödinger is excited to be participating in the Institute of Food Technologists Conference taking place on July 14th – 17th in Chicago, Illinois.

  • calendar icon dark Date & Time: Jul 14th-17th, 2024
  • location icon dark Location: Chicago, Illinois
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FEATURED CourseMolecular modeling for materials science applications: course bundle

Molecular modeling for materials science applications: course bundle

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