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Caetano Rodrigues Miranda

8PUBLICATIONS

14CO-AUTHORS

Theoretical quantum chemistryBioinformatic methods developmentChemical thermodynamics and energeticsColloid and surface chemistryNumerical modelling and mechanical characterisation

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Publications (8)

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|Mar 30, 2026

Effects of van der Waals Interaction on N<sub>2</sub> Adsorption on Carbon Nanotubes: Proposal for New Force Field Parameters.

Carlos Alberto Martins Junior, Henrique Musseli Cezar, Daniela Andrade Damasceno

|Jan 21, 2026

Bayesian Optimization for High-Dimensional Coarse-Grained Model Parameterization: A Case Study on Pebax Polymer.

Carlos A Martins, Daniela A Damasceno, Keat Yung Hue

|Aug 11, 2025

Charge Effects on the Adsorption of Octanoic Acid and Octanoate at Carbonates.

James Moraes de Almeida, Bruno Fedosse Zornio, Alvaro David Torrez Baptista

|Oct 31, 2023

First-Principles Prediction of Amorphous Silica Nanoparticle Surface Charge: Effect of Size, pH, and Ionic Strength.

Nima Nazemzadeh, Caetano R Miranda, Yunfeng Liang

|Jun 17, 2021

Electronic Structure of Water from Koopmans-Compliant Functionals.

James Moraes de Almeida, Ngoc Linh Nguyen, Nicola Colonna

|Dec 09, 2020

Discovery of Low-Modulus Ti-Nb-Zr Alloys Based on Machine Learning and First-Principles Calculations.

Camilo A F Salvador, Bruno F Zornio, Caetano R Miranda

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Frequent Collaborators

2 joint publications

Bruno Fedosse Zornio

2 joint publications

James Moraes de Almeida

2 joint publications

Carlos Alberto Martins Junior

2 joint publications

Daniela Andrade Damasceno

1 joint publications

Nima Nazemzadeh

1 joint publications

Yunfeng Liang

1 joint publications

Martin P Andersson

1 joint publications

Nicola Colonna

1 joint publications

Wei Chen

1 joint publications

Alfredo Pasquarello

Frequent Collaborators

2 joint publications

Bruno Fedosse Zornio

2 joint publications

James Moraes de Almeida

2 joint publications

Carlos Alberto Martins Junior

2 joint publications

Daniela Andrade Damasceno

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