J. M. C. Marques

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University of Coimbra

Portugal

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Recent Grants

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Microsolvation of ions in atomic and molecular solvents

Open Date: 2021-01-01

Close Date: 2021-06-30

Grant: Close

Como PROTEGER EM SIMULTÂNEO ÁGUA, SOLOS E PRODUÇÃO DE PLANTAS

Open Date: 2017-04-01

Close Date: 2020-06-30

Grant: Close

Study of the energetic landscapes of atomic clusters by applying novel bio-inspired algorithms

Open Date: 2016-03-01

Close Date: 2018-02-01

Grant: Close

Study of the energetic landscapes of atomic clusters by applying novel bio-inspired algorithms

Open Date: 2016-03-01

Close Date: 2018-07-01

Grant: Close

High-Performance Computing over the Large-Scale Internet

Open Date: 2010-05-01

Close Date: 2013-10-31

Articles (16)

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2025

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2025

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2024

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2024

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2024

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2023

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2023

Molecular dynamics simulations show that the aggregates resulting from mixtures of curcumin and piperine in water mainly form stacked or cage structures with a great fluxional character, which is enhanced in the presence of ethanol molecules.

Year:

2023

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2022

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2022

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2021

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2021

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2021

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2021

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2021

Year:

2020

Collaborators (5)

Paulo Abreu

Auxiliar Professor

University of Coimbra

PORTUGAL

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Dina Murtinho

Professor Auxiliar

University of Coimbra

PORTUGAL

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William Hase

Texas Tech University

UNITED STATES

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Luisa Durães

Associate Professor

University of Coimbra

PORTUGAL

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Francisco B. Pereira

Associate Professor

Instituto Politécnico de Leiria

PORTUGAL

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J. M. C. Marques

Research Interests

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Recent Grants

Articles (16)

On the Mechanism of Interactions Between Tetracycline and New Chitosan‐Based Materials: Experimental Development Guided by Computational Methods

Towards nature-inspired materials for adsorbing pesticides: a multi-stage computational approach

Magnetic Ionic Liquids: Current Achievements and Future Perspectives with a Focus on Computational Approaches

Structure and Thermodynamics of Li+Arn Clusters beyond the Second Solvation Shell

Borophene nanoclusters: Energetics and structures from analytical potentials

Reduced Chitosan as a Strategy for Removing Copper Ions from Water

Aggregation patterns of curcumin and piperine mixtures in different polar media

Aggregation patterns of curcumin and piperine mixtures in different polar media

Intermolecular Forces: From Atoms and Molecules to Nanostructures

Thermodynamic Signatures of Structural Transitions and Dissociation of Charged Colloidal Clusters: A Parallel Tempering Monte Carlo Study

Calculation of diffusion coefficients of pesticides by employing molecular dynamics simulations

Effect of sodium chloride on the behaviour of the lactose in aqueous solution studied from diffusion experiments and molecular dynamics simulations

Modeling microsolvation clusters with electronic-structure calculations guided by analytical potentials and predictive machine learning techniques

On the stabilization of the Li$$^+$$-Li$$^+$$ interaction by microsolvation with rare-gas atoms

Aggregation of coronene: the effect of carboxyl and amine functional groups

Editorial: Application of Optimization Algorithms in Chemistry

Collaborators (5)

Paulo Abreu

Dina Murtinho

William Hase

Luisa Durães

Francisco B. Pereira

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