Work

High-Throughput Approach for Minimum Energy Pathway Search Using the Nudged Elastic Band Method with Efficient Data Handling and Parallel Computing

Year: 2025

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.5c01540

Authors: Heejune Park, Benjamin P. Pritchard, Lee-Ping Wang

Institutions: University of California, Davis, Molecular Sciences Software Institute, Virginia Tech

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funders: Virginia Polytechnic Institute and State University, Division of Chemistry, Division of Astronomical Sciences

Awards: G1803693012, G2492492507

OpenAlex ID: W4416438650

FWCI: 1.868

Cites: 90

Cited by: 5

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