Combining Machine Learning Approaches and Accurate <i>Ab Initio</i> Enhanced Sampling Methods for Prebiotic Chemical Reactions in Solution-Reference-Cited by-同舟云学术

Combining Machine Learning Approaches and Accurate Ab Initio Enhanced Sampling Methods for Prebiotic Chemical Reactions in Solution

Published:2022-08-05 Issue:9 Volume:18 Page:5410-5421
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Devergne Timothée¹^ORCID,Magrino Théo¹^ORCID,Pietrucci Fabio¹^ORCID,Saitta A. Marco¹

Affiliation:

1. UMR CNRS 7590, Muséum National d’ Histoire Naturelle, Institut de Recherche pour le Développement, Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, Sorbonne Université, 75252 Paris, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00400

Reference55 articles.

1. Prebiotic chemistry and origins of life research with atomistic computer simulations

2. The origin of life in comets

3. Shock Synthesis of Amino Acids in Simulated Primitive Environments

4. Understanding prebiotic chemistry through the analysis of extraterrestrial amino acids and nucleobases in meteorites

5. Aldehydes and sugars from evolved precometary ice analogs: Importance of ices in astrochemical and prebiotic evolution

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