Luciano T Costa

3PUBLICATIONS
9CO-AUTHORS
Theory and design of materialsMetal organic frameworksBiomolecular modelling and design
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Publications (3)

|Aug 03, 2021
The structure of CO2 and CH4 at the interface of a poly(urethane urea) oligomer model from the microscopic point of view.

Flavia Cristina Assis Silva, Tuanan da Costa Lourenço, David van der Spoel

|Jul 16, 2021
Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe3+, Al3+, and Cu2.

Giane B Damas, Luciano T Costa, Rajeev Ahuja

|Sep 03, 2020
A potential for molecular simulation of compounds with linear moieties.

David van der Spoel, Henning Henschel, Paul J van Maaren

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Frequent Collaborators

2 joint publications

David van der Spoel

1 joint publications

Henning Henschel

1 joint publications

Paul J van Maaren

1 joint publications

Mohammad M Ghahremanpour