Publications

Peer-reviewed publications in machine learning, materials science, and computational physics

Showing 32 publications

2025

Quality–diversity-driven robust evolutionary optimization of optical designs

Kirill Antonov, Teus Tukker, Tiago Botari, Thomas Bäck, Anna V. Kononova, Niki van Stein

Optical Engineering · 2025

optimization optical-design evolutionary-algorithms

2024

Quality-diversity driven robust evolutionary optimization of optical designs

Kirill Antonov, Teus Tukker, Tiago Botari, Thomas Bäck, Anna V. Kononova, Niki van Stein

Computational Optics 2024 · 2024

optimization optical-design evolutionary-algorithms

2023

NLS: An accurate and yet easy-to-interpret prediction method

Victor Coscrato, Marco H. A. Inácio, Tiago Botari, Rafael Izbicki

Neural Networks · 2023

machine-learning interpretability neural-networks

New solutions to Cooke triplet problem via analysis of attraction basins

Kirill Antonov, Tiago Botari, Teus Tukker, Thomas Bäck, Niki van Stein, Anna V. Kononova

Digital Optical Technologies 2023 · 2023

optimization optical-design

2022

Machine learning unveils composition–property relationships in chalcogenide glasses

Saulo Martiello Mastelini, Daniel R. Cassar, Edesio Alcobaça, Tiago Botari, André C. P. L. F. de Carvalho, Edgar D. Zanotto

Acta Materialia · 2022

machine-learning materials-science glass-physics

2021

Predicting and interpreting oxide glass properties by machine learning using large datasets

Daniel R. Cassar, Saulo M. Mastelini, Tiago Botari, Edesio Alcobaça, André C. P. L. F. de Carvalho, Edgar D. Zanotto

Ceramics International · 2021

machine-learning materials-science glass-physics

2020

Explainable machine learning algorithms to predict glass transition temperature

E. Alcobaça, S. M. Mastelini, T. Botari, B. A. Pimentel, D. R. Cassar, A. C. P. de Leon Ferreira de Carvalho, E. D. Zanotto

Acta Materialia · 2020

machine-learning interpretability materials-science

MeLIME: Meaningful local explanation for machine learning models

Tiago Botari, Frederik Hvilshøj, Rafael Izbicki, André C. P. L. F. de Carvalho

arXiv preprint · 2020

machine-learning interpretability explainability

2019

Text-mined dataset of inorganic materials synthesis recipes

O. Kononova, H. Huo, T. He, Z. Rong, T. Botari, W. Sun, V. Tshitoyan, G. Ceder

Scientific Data · 2019

machine-learning materials-science text-mining

Semi-supervised machine-learning classification of materials synthesis procedures

H. Huo, Z. Rong, O. Kononova, W. Sun, T. Botari, T. He, V. Tshitoyan, G. Ceder

npj Computational Materials · 2019

machine-learning materials-science text-mining semi-supervised-learning

Prediction of strain-controlled adhesion in a single-layer covalent organic framework

M. Y. Suárez-Villagrán, T. Botari, J. H. Miller Jr, L. D. Machado

Carbon · 2019

computational-physics materials-science covalent-organic-frameworks

Fast simulation of railway pneumatic brake systems

Í. P. Teodoro, D. F. Ribeiro, T. Botari, T. S. Martins, A. A. Santos

Proceedings of the Institution of Mechanical Engineers, Part F: Journal of Rail and Rapid Transit · 2019

computational-modeling engineering

Local interpretation methods to machine learning using the domain of the feature space

Tiago Botari, Rafael Izbicki, André C. P. L. F. de Carvalho

Joint European Conference on Machine Learning and Knowledge Discovery in Databases (ECML PKDD) · 2019

machine-learning interpretability

2018

Mechanical properties of schwarzites-a fully atomistic reactive molecular dynamics investigation

C. F. Woellner, T. Botari, E. Perim, D. S. Galvao

MRS Advances · 2018

computational-physics materials-science molecular-dynamics

Mechanical properties of a two-dimensional covalent organic framework

M. Villagran, T. Botari, J. Miller, L. Machado

Bulletin of the American Physical Society · 2018

computational-physics materials-science covalent-organic-frameworks

2017

Thermodynamic Equilibria in Carbon Nitride Photocatalyst Materials and Conditions for the Existence of Graphitic Carbon Nitride g-C3N4

T. Botari, W. P. Huhn, V. W. Lau, B. V. Lotsch, V. Blum

Chemistry of Materials · 2017

computational-physics materials-science photocatalysis

Mechanical Properties and Fracture Patterns of Graphene (Graphitic) Nanowiggles

R. A. Bizão, T. Botari, E. Perim, D. S. Galvao

Carbon · 2017

computational-physics materials-science graphene

Urea-Modified Carbon Nitrides: Enhancing Photocatalytic Hydrogen Evolution by Rational Defect Engineering

V. W. Lau, V. W. Yu, F. Ehrat, T. Botari, I. Moudrakovski, T. Simon, V. Duppel, E. Medina, J. Stolarczyk, J. Feldmann, V. Blum, B. V. Lotsch

Advanced Energy Materials · 2017

materials-science photocatalysis computational-physics

2016

Towards rational design of carbon nitride photocatalysts of cyanamide 'defects' as catalytically relevant sites

V. W. Lau, I. Moudrakovski, T. Botari, S. Weinburger, M. Mesch, V. Duppel, J. Senker, V. Blum, B. Lotsch

Nature Communications · 2016

materials-science photocatalysis computational-physics

Mechanical and Structural Properties of Graphene-like Carbon Nitride Sheets

J. M. de Sousa, T. Botari, E. Perim, R. A. Bizao, D. S. Galvao

RSC Advances · 2016

computational-physics materials-science 2d-materials

Graphene Healing Mechanism: Theoretical Investigation

T. Botari, R. Paupitz, P. A. S. Autreto, D. S. Galvao

Carbon · 2016

computational-physics materials-science graphene

Simulation of a railway pneumatic brake system

D. Ribeiro, I. Teodoro, T. Botari, T. Martins, A. Santos

18th International Wheelset Congress (IWC) · 2016

computational-modeling engineering

Simulação Atomística de Materiais Bi-dimensionais: Siliceno, Grafeno e Nitreto de Carbono

Tiago Botari

PhD Thesis, Computational Physics · 2016

computational-physics materials-science 2d-materials

2015

Photocatalytically active oligomeric graphitic carbon nitride: Conformational flexibility, electronic levels, carrier localization

V. Blum, V. Lau, T. Botari, W. Huhn, B. V. Lotsch

APS Meeting Abstracts · 2015

computational-physics materials-science photocatalysis

2014

Mechanical Properties and Fracture Dynamics of Silicene Membranes

T. Botari, E. Perim, P. A. S. Autreto, A. C. T. van Duin, D. S. Galvao

Physical Chemistry Chemical Physics · 2014

computational-physics materials-science 2d-materials

One-dimensional silicon and germanium nanostructures with no carbon analogues

E. Perim, R. Paupitz, T. Botari, D. S. Galvao

Physical Chemistry Chemical Physics · 2014

computational-physics materials-science nanostructures

Mechanical properties of graphene nanowiggles

R. A. Bizao, T. Botari, D. S. Galvao

MRS Online Proceedings Library Archive · 2014

computational-physics materials-science graphene

2013

One-dimensional Fermi accelerator model with moving wall described by a nonlinear van der Pol oscillator

T. Botari, E. D. Leonel

Physical Review E · 2013

computational-physics nonlinear-dynamics

Mechanical properties and fracture dynamics of silicene membranes

T. Botari, E. Perim, P. Autreto, R. Paupitz, D. S. Galvao

MRS Online Proceedings Library Archive · 2013

computational-physics materials-science 2d-materials

2012

Aceleração de Fermi em bilhares com fronteiras dependentes do tempo descritas por osciladores não lineares

Tiago Botari

Master's Dissertation, Physics · 2012

computational-physics nonlinear-dynamics

2011

Explaining the high number of infected people by dengue in Rio de Janeiro in 2008 using a susceptible-infective-recovered model

T. Botari, S. G. Alves, E. D. Leonel

Physical Review E · 2011

computational-modeling epidemiology

2010

Modelagem de epidemia da dengue via autômatos celulares

Tiago Botari

Undergraduate Thesis · 2010

computational-modeling epidemiology