2021
DOI: 10.26434/chemrxiv.14527299
|View full text |Cite
Preprint
|
Sign up to set email alerts
|

Topology Automated Force-Field Interactions (TAFFI): A Framework for Developing Transferable Force-Fields

Abstract: <div> <div> <div> <p>Force-field development has undergone a revolution in the past decade with the proliferation of quantum chemistry based parameterizations and the introduction of machine learning approximations of the atomistic potential energy surface. Nevertheless, transferable force-fields with broad coverage of organic chemical space remain necessary for applications in materials and chemical discovery where throughput, consistency, and computational cost are paramou… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Publication Types

Select...

Relationship

0
0

Authors

Journals

citations
Cited by 0 publications
references
References 88 publications
(104 reference statements)
0
0
0
Order By: Relevance

No citations

Set email alert for when this publication receives citations?