Machine Learning Force Fields Unlock Atomic Simulations

author: Claudio Zeni, Microsoft Research
published: Sept. 1, 2023,   recorded: August 2023,   views: 0

Related content

Report a problem or upload files

If you have found a problem with this lecture or would like to send us extra material, articles, exercises, etc., please use our ticket system to describe your request and upload the data.
Enter your e-mail into the 'Cc' field, and we will keep you updated with your request's status.
Lecture popularity: You need to login to cast your vote.
  Delicious Bibliography

Description

This talk delves into the emerging role of machine learning (ML) force fields in materials science and biology, exploring their potential to revolutionize our understanding of complex atomic and molecular interactions. We will discuss the limitations of classical force fields and how ML techniques, such as deep learning and kernel methods, can model potential energy surfaces more accurately and efficiently. By learning from quantum mechanical calculations, ML force fields can provide insights into chemical reactions, protein folding, and material properties, guiding experimental research and accelerating drug discovery. The presentation will emphasize the transformative potential of ML force fields and the importance of continued interdisciplinary research to harness their full capabilities.

Link this page

Would you like to put a link to this lecture on your homepage?
Go ahead! Copy the HTML snippet !

Write your own review or comment:

make sure you have javascript enabled or clear this field: