Are all-atom any better than united-atom force fields for the description of liquid properties of alkanes?
- Published in:
- Journal of Molecular Modeling, 2020, v. 26, n. 11, p. 1, doi. 10.1007/s00894-020-04548-5
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- Article
Works by Tavares, Frederico W.
Results: 14
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2
A First Approach towards Adsorption-Oriented Physics-Informed Neural Networks: Monoclonal Antibody Adsorption Performance on an Ion-Exchange Column as a Case Study.
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- ChemEngineering, 2022, v. 6, n. 2, p. 21, doi. 10.3390/chemengineering6020021
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- Article
3
Liquid–liquid equilibria of ternary mixtures of methanol + MEG + n‐C5, ethanol + MEG + n‐C5, and n‐butanol + MEG + n‐C5.
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- Canadian Journal of Chemical Engineering, 2023, v. 101, n. 6, p. 3512, doi. 10.1002/cjce.24725
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- Article
4
A unified interaction model for multiphase flows with the lattice Boltzmann method.
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- Canadian Journal of Chemical Engineering, 2023, v. 101, n. 2, p. 623, doi. 10.1002/cjce.24604
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- Publication type:
- Article
5
Inferring kinetic dissolution of NaCl in aqueous glycol solution using a low‐cost apparatus and population balance model.
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- Canadian Journal of Chemical Engineering, 2020, v. 98, n. 11, p. 2435, doi. 10.1002/cjce.23774
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- Publication type:
- Article
6
RESEARCH NOTE Vapour-liquid equilibria of exponential-six fluids.
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- Molecular Physics, 1996, v. 87, n. 6, p. 1471, doi. 10.1080/00268979650026947
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- Article
7
Equation of state for the square-well chain fluid based on the dimer version of Wertheim's perturbation theory.
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- Molecular Physics, 1995, v. 86, n. 6, p. 1451, doi. 10.1080/00268979500102851
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- Publication type:
- Article
8
Slit-like pores are not always 1D: analysis of CH adsorption on clay minerals from 3D-cDFT and GCMC.
- Published in:
- Adsorption, 2025, v. 31, n. 4, p. 1, doi. 10.1007/s10450-025-00621-8
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- Publication type:
- Article
9
Comparison of 3D-cDFT and GCMC simulations for fluid–structure analysis in amorphous carbon nanoporous materials.
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- Adsorption, 2024, v. 30, n. 5, p. 583, doi. 10.1007/s10450-024-00444-z
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- Article
10
Shear viscosity calculated by perturbation theory and molecular dynamics for dense fluids.
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- International Journal of Quantum Chemistry, 2003, v. 95, n. 2, p. 79, doi. 10.1002/qua.10762
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- Article
11
Thermodynamics of Fluid-Phase Equilibria for Standard Chemical Engineering Operations.
- Published in:
- AIChE Journal, 2004, v. 50, n. 4, p. 739, doi. 10.1002/aic.10069
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- Article
12
Phase equilibria for the mean-force potential of globular protein solutions.
- Published in:
- AIChE Journal, 1997, v. 43, n. 1, p. 218, doi. 10.1002/aic.690430124
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- Article
13
Modified clustering algorithm for molecular simulation.
- Published in:
- Molecular Simulation, 2020, v. 46, n. 18, p. 1453, doi. 10.1080/08927022.2020.1839661
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- Article
14
A low-disturbance nonequilibrium molecular dynamics algorithm applied to the determination of thermal conductivities.
- Published in:
- AIChE Journal, 2015, v. 61, n. 9, p. 2881, doi. 10.1002/aic.14803
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- Publication type:
- Article