Publications by authors named "Thuat T Trinh"

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Molecular dynamics simulation of Sunset Yellow dye removal from water using hydrochar adsorbent.
Thi H Ho, Khoa Van Le, Phuong Tuyet Nguyen, Linh Nguyen, Thuat T Trinh

Sci Rep· December 2025

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Molecular Insights into the Interaction between CD147 and the SARS-CoV‑2 Spike Protein.
Milton S Gonzalez-Serrano, Li-Yu Chen, Hemi Desai, Thi Huynh Ho, Doris Heinrich, Thuat Thanh Trinh

ACS Omega· August 2025

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Two-dimensional piezoelectric AlSiX (X = N, P, As) semiconductors with Raman activity, favorable band-gap, and high carrier mobility based on first-principles calculations.
Tuan V Vu, Nguyen N Hieu, Nguyen T Hiep, Thuat T Trinh, A I Kartamyshev

Phys Chem Chem Phys· March 2025

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Molecular insights into supercritical water gasification process of polyoxymethylene plastics.
Tuong Ha Do, Dao Trinh, Thi Be Ta Truong, Thuat T Trinh

Sci Rep· March 2025

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Thermodynamic Properties of Hydrogen Adsorbed on Graphite Surfaces at Temperatures Above 100 K: A Molecular Dynamics and Classical Density Functional Theory Study.
Vegard G Jervell, Morten Hammer, Øivind Wilhelmsen, Thuat T Trinh

Entropy (Basel)· February 2025

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Insights into hydro thermal gasification process of microplastic polyethylene via reactive molecular dynamics simulations.
Do Tuong Ha, Hien Duy Tong, Thuat T Trinh

Sci Rep· August 2024

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Thermophysical properties of polyethylene glycol oligomers molecular dynamics simulations.
Thi H Ho, Tong Duy Hien, Øivind Wilhelmsen, Thuat T Trinh

RSC Adv· August 2024

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Molecular insights into the interactions between PEG carriers and drug molecules from Celastrus hindsii: a multi-scale simulation study.
Thi H Ho, Hien Duy Tong, Thuat T Trinh

Sci Rep· July 2024

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Water adsorption on surfaces of calcium aluminosilicate crystal phase of stone wool: a DFT study.
Thi H Ho, Nguyen-Hieu Hoang, Øivind Wilhelmsen, Thuat T Trinh

Sci Rep· April 2024

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The Role of Chloride ion in the Silicate Condensation Reaction from ab Initio Molecular Dynamics Simulations.
Thi H Ho, Tuong Ha Do, Hien Duy Tong, Evert Jan Meijer, Thuat T Trinh

J Phys Chem B· September 2023

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Insight into the role of excess hydroxide ions in silicate condensation reactions.
Tuong Ha Do, Hien Duy Tong, Khanh-Quang Tran, Evert Jan Meijer, Thuat T Trinh

Phys Chem Chem Phys· May 2023

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How do the doping concentrations of N and B in graphene modify the water adsorption?
Thi Tan Pham, Thanh Ngoc Pham, Viorel Chihaia, Quang Anh Vu, Thuat T Trinh

RSC Adv· May 2021

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Impact of Organic Templates on the Selective Formation of Zeolite Oligomers.
Marine Ciantar, Thuat T Trinh, Carine Michel, Philippe Sautet, Caroline Mellot-Draznieks

Angew Chem Int Ed Engl· March 2021

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Elucidating the Role of Tetraethylammonium in the Silicate Condensation Reaction from Molecular Dynamics Simulations.
Ngoc Lan Mai, Ha T Do, Nguyen Hieu Hoang, Anh H Nguyen, Khanh-Quang Tran, Thuat T Trinh

J Phys Chem B· November 2020

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Thiosquaramide-Based Supramolecular Polymers: Aromaticity Gain in a Switched Mode of Self-Assembly.
Victorio Saez Talens, Joyal Davis, Chia-Hua Wu, Zhili Wen, Francesca Lauria, Thuat T Trinh

J Am Chem Soc· November 2020

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Diffusion of gas mixtures in the sI hydrate structure.
Magnus H Waage, Thuat T Trinh, Titus S van Erp

J Chem Phys· June 2018

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Temperature anisotropy at equilibrium reveals nonlocal entropic contributions to interfacial properties.
Øivind Wilhelmsen, Thuat T Trinh, Anders Lervik

Phys Rev E· January 2018

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Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol.
Mehdi Mahmoodinia, Thuat T Trinh, Per-Olof Åstrand, Khanh-Quang Tran

Phys Chem Chem Phys· November 2017

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Rare event simulations reveal subtle key steps in aqueous silicate condensation.
Mahmoud Moqadam, Enrico Riccardi, Thuat T Trinh, Anders Lervik, Titus S van Erp

Phys Chem Chem Phys· May 2017

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Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings.
Eirik Hjertenæs, Thuat T Trinh, Henrik Koch

Phys Chem Chem Phys· July 2016

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The mechanism of the initial step of germanosilicate formation in solution: a first-principles molecular dynamics study.
Thuat T Trinh, Xavier Rozanska, Françoise Delbecq, Alain Tuel, Philippe Sautet

Phys Chem Chem Phys· June 2016

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Heat transport through a solid-solid junction: the interface as an autonomous thermodynamic system.
Riccardo Rurali, Luciano Colombo, Xavier Cartoixà, Øivind Wilhelmsen, Thuat T Trinh

Phys Chem Chem Phys· May 2016

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Coherent description of transport across the water interface: From nanodroplets to climate models.
Øivind Wilhelmsen, Thuat T Trinh, Anders Lervik, Vijay Kumar Badam, Signe Kjelstrup

Phys Rev E· March 2016

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Note: A new truncation correction for the configurational temperature extends its applicability to interaction potentials with a discontinuous force.
Anders Lervik, Øivind Wilhelmsen, Thuat T Trinh, Edgar M Blokhuis

J Chem Phys· February 2016

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A test on reactive force fields for the study of silica dimerization reactions.
Mahmoud Moqadam, Enrico Riccardi, Thuat T Trinh, Per-Olof Åstrand, Titus S van Erp

J Chem Phys· November 2015

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