Molecular Insight, Material Impact

Molecular Insight, Material Impact

Please find within this page details around utilizing Schrödinger’s software and services within Academia.

Academic Presentation

Download our Petrochemical presentation to learn more about Schrödinger and our software capabilities.

Webinars and White Papers

High-performance materials discovery: A decade of cloud-enabled breakthroughs Webinar Materials Science
High-performance materials discovery: A decade of cloud-enabled breakthroughs

This talk will showcase how Schrödinger’s integrated materials science platform enables massive parallel screening and de novo design campaigns across diverse applications.

In silico materials development: Integrating atomistic simulation into academic chemistry and engineering labs Webinar Materials Science
In silico materials development: Integrating atomistic simulation into academic chemistry and engineering labs

In this webinar, we explore Schrödinger’s leading physics-based and machine learning computational technologies and provide a comprehensive introduction to the capabilities of computational modeling in chemistry, materials science, and engineering.

Taking experimentation digital: Materials innovation using atomistic simulation and machine learning at-scale Webinar Materials Science
Taking experimentation digital: Materials innovation using atomistic simulation and machine learning at-scale

In this webinar, we introduce a modern approach to materials R&D using a digital chemistry platform for in silico analysis, optimization and discovery.

Publications

Quantum chemical package Jaguar: A survey of recent developments and unique features

Schrödinger Publication

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Iron-catalysed synthesis and chemical recycling of telechelic 1,3-enchained oligocyclobutanes

ExxonMobil Publication

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Designing the next generation of polymers with machine learning and physics-based models

SABIC Publication

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Leveraging high-throughput molecular simulations and machine learning for the design of chemical mixtures

Schrödinger Publication

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Physics-based molecular modeling of biosurfactants

Schrödinger Publication

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Hole transport materials for QLEDs: a combined approach of machine learning and atomistic simulation

Schrödinger Publication

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Shearing friction behaviour of synthetic polymers compared to a functionalized polysaccharide on biomimetic surfaces

L’Oreal Publication

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Coarse-Grained Simulation of mRNA-Loaded Lipid Nanoparticle Self-Assembly

Schrödinger Publication

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