Refinement of thermostated molecular dynamics using backward error analysis-Reference-Cited by-同舟云学术

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Refinement of thermostated molecular dynamics using backward error analysis

Published:2019-03-21 Issue:11 Volume:150 Page:114110
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Silveira Ana J.¹^ORCID,Abreu Charlles R. A.²^ORCID

Affiliation:

1. Planta Piloto de Ingeniería Química, PLAPIQUI, Universidad Nacional del Sur, Camino La Carrindanga Km 7-CC: 717, Bahía Blanca, Argentina

2. Chemical Engineering Department, Escola de Química, Universidade Federal do Rio de Janeiro, Rio de Janeiro, RJ 21941-909, Brazil

Funder

Petrobras

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5085441

Reference58 articles.

1. Comment on “The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water” [I and II: J. Chem. Phys. 135, 134503 (2011); J. Chem. Phys. 138, 214504 (2013)]

2. The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water

3. The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water. II

4. The war over supercooled water

5. Anomalous Effects of Velocity Rescaling Algorithms: The Flying Ice Cube Effect Revisited

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1. MD Simulation of Water Using a Rigid Body Description Requires a Small Time Step to Ensure Equipartition;Journal of Chemical Theory and Computation;2023-12-29

2. Hamiltonian based resonance-free approach for enabling very large time steps in multiple time-scale molecular dynamics;Molecular Physics;2021-05-10

3. Molecular Dynamics with Very Large Time Steps for the Calculation of Solvation Free Energies;Journal of Chemical Theory and Computation;2020-11-16

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