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Experimental Chemistry

Experimental Chemistry
From the bench to the computer: Incorporating molecular modeling Into materials R&D

Enhance materials discovery, analysis, and optimization with scientifically-validated digital solutions

The field of experimental chemistry is rapidly transforming, thanks to digital technologies that can quickly test a hypothesis or rapidly iterate on an idea. These technologies can help speed the identification of the best molecules, formulations, or processes in complex materials systems.

As an experimental chemist, you know that efficiency matters and that’s why an ever-growing list of companies and institutions are adopting molecular simulation as part of their innovation practice to uncover faster and more cost-efficient materials innovations.

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Advantages of the Schrödinger platform for experimentalists

Explore more target candidates in less time

  • Quickly screen large chemical spaces and identify promising candidates with target properties and performance
  • Greatly reduce time and cost on experimental trials and focus on the right problems and solutions

Gain deeper insights with fewer unknowns

  • Get a deep understanding of the “what” and the “why” at an atomic level of your materials systems with best-in-class, physics-based models
  • Generate insights into the unknown and confidently improve existing chemistry or pursue novel chemistry with advanced machine learning methods

Go beyond the limits of experiments

  • Test ideas that are challenging or impossible through traditional methods of experimentation
  • Complement your experiments with molecular simulation and machine learning to explore far beyond known chemical space and improve existing materials or generate novel ideas for new materials

Enhance your materials analysis capabilities

Improve your understanding of existing or new materials with simulated spectral data (e.g. NMR, XRD, IR)

Leverage our team of experts

Transform your on-boarding experience of new software with Schrödinger’s team of experts in computational chemistry offering dedicated technical and scientific support, and personalized training

Benefit from large collection of online learning resources

Access vast online education resources, including tutorials and online courses, facilitating rapid upskilling of your team, including experimentalists who are new to computational chemistry

Learn more about our solutions for:

Polymeric Materials
Complex Formulations
Energy Capture & Storage
Organic Electronics
Consumer Packaged Goods
Thin Film Processing
Catalysis & Reactivity
Metals, Alloys & Ceramics
FeaturedMolecular modeling for materials science applications

Online certification course: Level-up your skill set in materials innovation

Not familiar with Schrödinger software and interface? Benefit from vast educational resources, self-paced courses, and 1-1 training tailored for you. Schrödinger software is designed for experts and novices with easy-to-use interface and automated workflows, backed by dedicated scientific and technical support.

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You’re in good company

“I tried a few different modeling platforms, but as an experimentalist with no background in computational chemistry and limited coding experience, I found Schrödinger’s software the easiest to use.”
Jessica GoldenDirector of R&D, Sepion Technologies
“I’ve found that our customers in the mining sector don’t always understand the value of digital simulation — until they see it for themselves.”
Andrew JacksonScientist, Solvay
“By working closely with Schrödinger experts, we were impressed by how fast we were able to learn to apply molecular simulations, even with no prior modeling experience.”
Martin SettleSenior Research Manager, Polymer Science Sustainability & Packaging, Reckitt

Software and services to meet your organizational needs

Software Platform

Deploy digital materials discovery workflows with a comprehensive and user-friendly platform grounded in physics-based molecular modeling, machine learning, and team collaboration.

Research Services

Leverage Schrödinger’s expert computational scientists to assist at key stages in your materials discovery and development process.

Support & Training

Access expert support, educational materials, and training resources designed for both novice and experienced users.