Alain Tchagang

5PUBLICATIONS
7CO-AUTHORS
Micro- and nanosystemsReinforcement learningBiomolecular modelling and designTheoretical quantum chemistryComputational chemistry
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Publications (5)

|Mar 29, 2024
Active-learning for global optimization of Ni-Ceria nanoparticles: The case of Ce<sub>4-x</sub>Ni<sub>x</sub>O<sub>8-</sub> <sub>x</sub> (x = 1, 2, 3).

Lizandra Barrios Herrera, Maicon Pierre Lourenço, Jiří Hostaš

|Feb 15, 2024
Reinforcement learning for in silico determination of adsorbate-substrate structures.

Maicon Pierre Lourenço, Jiří Hostaš, Colin Bellinger

|Feb 08, 2024
Novel machine learning insights into the QM7b and QM9 quantum mechanics datasets.

Julio J Valdés, Alain B Tchagang

|Nov 10, 2023
How important is the amount of exact exchange for spin-state energy ordering in DFT? Case study of molybdenum carbide cluster, Mo4C2.

Jiří Hostaš, Kevin O Pérez-Becerra, Patrizia Calaminici

|Aug 15, 2023
QMLMaterial─A Quantum Machine Learning Software for Material Design and Discovery.

Maicon Pierre Lourenço, Lizandra Barrios Herrera, Jiří Hostaš

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Frequent Collaborators

4 joint publications

Maicon Pierre Lourenço

3 joint publications

Patrizia Calaminici

3 joint publications

Andreas M Köster

2 joint publications

Lizandra Barrios-Herrera