Accurate and efficient constrained molecular dynamics of polymers using Newton's method and special purpose code-Reference-Cited by-同舟云学术

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Accurate and efficient constrained molecular dynamics of polymers using Newton's method and special purpose code

Published:2023-07 Issue: Volume:288 Page:108742
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

López-Villellas Lorién,Kjelgaard Mikkelsen Carl Christian,Galano-Frutos Juan José,Marco-Sola Santiago,Alastruey-Benedé Jesús^ORCID,Ibáñez Pablo,Moretó Miquel,Sancho Javier,García-Risueño Pablo

Funder

Vetenskapsrådet

Ministerio de Ciencia e Innovación

Universidad de Zaragoza

Gobierno de Aragón

Agencia Estatal de Investigación

Generalitat de Catalunya

Lenovo Group Ltd

Government of Spain Ministry of Science and Innovation

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference68 articles.

1. Characterization of Step-Edge Barriers in Organic Thin-Film Growth

2. Rational Design of Organo-Ruthenium Anticancer Compounds

3. SARS-CoV-2 escape from a highly neutralizing COVID-19 convalescent plasma

4. Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors

5. Simulating Hamiltonian Dynamics;Leimkuhler,2004

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1. Recent Advances in Precision Diamond Wire Sawing Monocrystalline Silicon;Micromachines;2023-07-27

2. Newton's method revisited: How accurate do we have to be?;Concurrency and Computation: Practice and Experience;2023-07-03

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