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Charlles R A Abreu
ResearcherID
ORCID
Publication Activity (10 Years)
Years Active: 2018-2023
Publications (10 Years): 5
Top Topics
Convolutional Neural Network
Image Quality
Patient Safety
Molecular Dynamics
Top Venues
The Journal of chemical physics
Journal of chemical theory and computation
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This page only lists publications with an associated author ORCID identifier.
Publications
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Nawavi Naleem
,
Charlles R A Abreu
,
Krzysztof Warmuz
,
Muchen Tong
,
Serdal Kirmizialtin
,
Mark E Tuckerman
An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions.
The Journal of chemical physics
159 (3) (2023)
Gabriela B Correa
,
Jéssica C S L Maciel
,
Frederico W Tavares
,
Charlles R A Abreu
A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free Energies.
Journal of chemical theory and computation
18 (10) (2022)
Charlles R A Abreu
,
Mark E Tuckerman
Molecular Dynamics with Very Large Time Steps for the Calculation of Solvation Free Energies.
Journal of chemical theory and computation
16 (12) (2020)
Ana J Silveira
,
Charlles R A Abreu
Refinement of thermostated molecular dynamics using backward error analysis.
The Journal of chemical physics
150 (11) (2019)
Ana J Silveira
,
Charlles R A Abreu
Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid water.
The Journal of chemical physics
147 (12) (2018)