Jarede S Martins

4PUBLICATIONS
15CO-AUTHORS
Formal methods for softwareMetal organic frameworksChemical thermodynamics and energeticsPhotonics, optoelectronics and optical communications
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Publications (4)

|Jul 20, 2026
lmp2gro: A Python Tool for Converting LAMMPS Data Files into GROMACS Topologies.

|Jun 09, 2026
Ionic liquid induced structural transformation in a copper-based MOF synthesis: Experimental and DFT investigations.

|Feb 09, 2026
Water and chloroform pure component and binary mixtures: New insights from molecular dynamics simulations.

Marcelo Albuquerque, Alexandre Moni Pereira, Jarede S Martins

|Dec 01, 2025
Theoretical Insights into ESIPT and GSIPT in Schiff Base Cu(II)-BSSMO Complexes: Substituent Effects Explored via DFT, Molecular Docking, and Dynamics Simulations for Optoelectronic and Biomedical Applications.

Murugesan Panneerselvam, Anantha Narayanan Sri Gayathri, Singaravel Nathiya

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Frequent Collaborators

4 joint publications

Luciano T Costa

2 joint publications

Alexandre Moni Pereira

2 joint publications

Marcelo Albuquerque

1 joint publications

Murugesan Panneerselvam