Taking Experimentation Digital: Materials Innovation using Atomistic Simulation and Machine Learning At-Scale

DATE

May 29, 2024

TIME

10:00 a.m. PDT, 1:00 p.m. EDT, 18:00 BST, 19:00 CEST - Duration: 60 Minutes

Overview

Our world is evolving rapidly, and with it comes a wide range of challenges, including the need for sustainable and energy-efficient solutions, advanced electronic devices, and durable, lightweight materials for transportation, aerospace, and construction. Traditional methods for materials discovery or selection are no longer viable for keeping pace with demands.

In this talk, we will introduce a modern approach to materials R&D using a digital chemistry platform for in silico analysis, optimization and discovery. The platform enables materials design at-scale across a wide range of applications, including organic electronics, catalysis, energy capture and storage, polymeric materials, consumer packaged goods, pharmaceutical formulation and delivery, and thin film processing.

By combining both physics-based modeling approaches (e.g. DFT, molecular dynamics, coarse-graining) and machine learning, researchers can easily incorporate in silico methods into their day-to-day workflows to expedite R&D timelines. Moreover, automated solutions enable scaling from simple molecular property predictions on a local device to high-throughput calculations on the cloud.

We will present real-world case studies that were performed by both experienced modelers as well as novice experimentalists who are new to digital chemistry approaches.

Key Learning Objectives:

Learn to leverage data from physics-based simulations and machine learning to accelerate materials R&D
Hear practical case studies and customer stories across materials industries including organic electronics, catalysis, energy capture and storage, polymeric materials, consumer packaged goods, pharmaceutical formulation and delivery, and thin film processing
Identify key areas in your R&D where physics-based simulation and machine learning can provide value

Who Should Attend:

R&D Leaders (VP of R&D, Director of R&D) interested in accelerating R&D timeline
Innovation Managers
Digitization Managers
Synthetic Chemists
Materials Scientists
Chemical Engineers
Materials Research Engineers
Computational Chemists
Computational Materials Scientists

Brought to you by:

Speakers

Dr. Michael Rauch
Associate Director of Materials Science,
Schrödinger

Ann Thayer
Contributing Editor,
C&EN Media Group

Registration

Forwarded this event? Clear the form

Email Address*

Salutation

First Name*

Last Name*

Company*

Job Title*

Address 1*

City*

State*

Zip / Post Code*

Country/Territory/Area*

Business Phone*

What are the current computational tools you use?*

What is your industry?*

What are your focus research areas?*

I would like to receive C&EN’s weekly newsletter with the latest in chemistry news

I would like to receive more information on products and services from the American Chemical Society

*By submitting this form, you agree to receive more information on related products and services from the American Chemical Society (ACS Publications) and its sponsor via email. ACS takes your privacy seriously. For more information, please see the ACS Privacy Policy.

View On Demand Webinars