List of works - Thuat T. Trinh

A procedure to find thermodynamic equilibrium constants for CO2 and CH4 adsorption on activated carbon.

scientific article published on March 2015

A test on reactive force fields for the study of silica dimerization reactions

scientific article published on November 2015

Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water.

scientific article published on 3 August 2015

Aromatic Gain in a Supramolecular Polymer

scientific article published on 15 July 2015

Calculation of the chemical potential and the activity coefficient of two layers of CO2 adsorbed on a graphite surface

scientific article published in 2015

Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings

scientific article published on 27 June 2016

Clarifying the role of sodium in the silica oligomerization reaction

scientific article published on 01 January 2013

Coherent description of transport across the water interface: From nanodroplets to climate models

scientific article published on 14 March 2016

Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids.

scientific article published on 2 September 2015

Diffusion of gas mixtures in the sI hydrate structure

scientific article published on 01 June 2018

Effect of counter ions on the silica oligomerization reaction

scientific article published on 01 August 2009

Elucidating the Role of Tetraethylammonium in the Silicate Condensation Reaction from Ab Initio Molecular Dynamics Simulations

scientific article published on 29 October 2020

Finite-size and truncation effects for microscopic expressions for the temperature at equilibrium and nonequilibrium.

scientific article published on September 2015

Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol.

scientific article published on 18 October 2017

Heat and mass transfer across interfaces in complex nanogeometries.

scientific article published on 12 February 2015

Heat transport through a solid-solid junction: the interface as an autonomous thermodynamic system.

scientific article

Low barriers for hydrogen diffusion in sII clathrate

scientific article published in 2015

Mechanical instability of monocrystalline and polycrystalline methane hydrates.

scientific article

Mechanism of oligomerization reactions of silica

scientific article published on 01 November 2006

Mechanism of the initial stage of silicate oligomerization

scientific article published on 12 April 2011

Note: A new truncation correction for the configurational temperature extends its applicability to interaction potentials with a discontinuous force.

scientific article published in February 2016

Rare event simulations reveal subtle key steps in aqueous silicate condensation

scientific article

Selectivity and self-diffusion of CO2 and H2 in a mixture on a graphite surface

scientific article

Temperature anisotropy at equilibrium reveals nonlocal entropic contributions to interfacial properties

scientific article published in January 2018

The initial step of silicate versus aluminosilicate formation in zeolite synthesis: a reaction mechanism in water with a tetrapropylammonium template

scientific article published on 02 February 2012

The mechanism of the initial step of germanosilicate formation in solution: a first-principles molecular dynamics study.

scientific article published on 12 May 2016

The role of a structure directing agent tetramethylammonium template in the initial steps of silicate oligomerization in aqueous solution.

scientific article published on 2 July 2015

The role of water in silicate oligomerization reaction.

scientific article published on 31 March 2009

Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics: a systematic study of several common force fields.

scientific article published in October 2014

Thiosquaramide-Based Supramolecular Polymers: Aromaticity Gain in a Switched Mode of Self-Assembly

scientific article published on 16 November 2020

List of works by Thuat T. Trinh

A procedure to find thermodynamic equilibrium constants for CO2 and CH4 adsorption on activated carbon.

A test on reactive force fields for the study of silica dimerization reactions

Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water.

Aromatic Gain in a Supramolecular Polymer

Calculation of the chemical potential and the activity coefficient of two layers of CO2 adsorbed on a graphite surface

Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings

Clarifying the role of sodium in the silica oligomerization reaction

Coherent description of transport across the water interface: From nanodroplets to climate models

Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids.

Diffusion of gas mixtures in the sI hydrate structure

Effect of counter ions on the silica oligomerization reaction

Elucidating the Role of Tetraethylammonium in the Silicate Condensation Reaction from Ab Initio Molecular Dynamics Simulations

Finite-size and truncation effects for microscopic expressions for the temperature at equilibrium and nonequilibrium.

Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol.

Heat and mass transfer across interfaces in complex nanogeometries.

Heat transport through a solid-solid junction: the interface as an autonomous thermodynamic system.

Low barriers for hydrogen diffusion in sII clathrate

Mechanical instability of monocrystalline and polycrystalline methane hydrates.

Mechanism of oligomerization reactions of silica

Mechanism of the initial stage of silicate oligomerization

Note: A new truncation correction for the configurational temperature extends its applicability to interaction potentials with a discontinuous force.

Rare event simulations reveal subtle key steps in aqueous silicate condensation

Selectivity and self-diffusion of CO2 and H2 in a mixture on a graphite surface

Temperature anisotropy at equilibrium reveals nonlocal entropic contributions to interfacial properties

The initial step of silicate versus aluminosilicate formation in zeolite synthesis: a reaction mechanism in water with a tetrapropylammonium template

The mechanism of the initial step of germanosilicate formation in solution: a first-principles molecular dynamics study.

The role of a structure directing agent tetramethylammonium template in the initial steps of silicate oligomerization in aqueous solution.

The role of water in silicate oligomerization reaction.

Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics: a systematic study of several common force fields.

Thiosquaramide-Based Supramolecular Polymers: Aromaticity Gain in a Switched Mode of Self-Assembly