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Carlos Bornes is a postdoctoral researcher at the Faculty of Science from Charles University in Prague, having earned his PhD in Chemistry from Universidade de Aveiro in 2023. He was recently awarded a European Research Area postdoctoral fellowship for his project "Zeolando - Exploring the dynamic behaviour of zeolites and their active sites under operando conditions". His area of research combines advanced spectroscopic methods such as solid-state NMR, inelastic neutron scattering, and infrared spectroscopy with computational approaches, particularly machine learning interatomic potentials, to simulate long scale processes and predict experimental observables at operando conditions.
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Identificação

Identificação pessoal

Nome completo
Carlos Bornes

Nomes de citação

  • Bornes, Carlos

Identificadores de autor

Ciência ID
9410-1B06-A5E5
ORCID iD
0000-0002-0325-2356

Endereços de correio eletrónico

  • carlos.bornes@natur.cuni.cz (Profissional)

Domínios de atuação

  • Ciências Exatas - Física - Física Química
  • Ciências Exatas - Química - Química Inorgânica
  • Ciências Exatas - Química

Idiomas

Idioma Conversação Leitura Escrita Compreensão Peer-review
Português (Idioma materno)
Inglês Utilizador independente (B2) Utilizador independente (B2) Utilizador independente (B2) Utilizador proficiente (C1) Utilizador independente (B2)
Formação
Grau Classificação
2018/06 - 2023/09
Concluído
 Química (Doutoramento)
Especialização em Ressonância Magnética Nuclear
Universidade de Aveiro, Portugal
"NMR study of zeolites’ acid sites using molecular probes" (TESE/DISSERTAÇÃO)
2015/09 - 2017
Concluído
 Química (Mestrado)
Especialização em Sem especialização
Universidade de Aveiro, Portugal
"Estudo das Propriedades de Acidez de Zeólitos por RMN do Estado Sólido" (TESE/DISSERTAÇÃO)
2012/09 - 2015/07
Concluído
 Química (Licenciatura)
Universidade de Aveiro, Portugal
Percurso profissional

Ciência

Categoria Profissional
Instituição de acolhimento		 Empregador
2023/08 - Atual Pós-doutorado (Investigação) Univerzita Karlova Chemická sekce, República Checa
Charles University Centre of Scientific Information, República Checa
Projetos

Bolsa

Designação Financiadores
2024/08 - 2026/07 Exploring the dynamic behaviour of zeolites and their active sites under operando conditions
101180584
 European Commission
2018/04 - 2022/04 Study of zeolite acid properties by solid-state NMR
70977DFA
 Fundação para a Ciência e a Tecnologia

Projeto

Designação Financiadores
2025/09/30 - 2026/09/29 Machine learning potentials for predicting NMR tensors of zeolites under operando conditions
open-35-30
Investigador responsável
Vysoká škola bánská - Technická univerzita Ostrava IT4Innovations národní superpocítacové centrum, República Checa
Em curso
2025/05 - 2026/05 Understanding CO2 adsorption mechanisms in amine-grafted sorbents via machine learning potentials
open-34-8
Investigador responsável
Vysoká škola bánská - Technická univerzita Ostrava IT4Innovations národní superpocítacové centrum, República Checa
Em curso
2025/01 - 2026/02 New insights into pyridine-zeolite interactions derived from machine learning potentials
open-33-29
Investigador responsável
Vysoká škola bánská - Technická univerzita Ostrava IT4Innovations národní superpocítacové centrum
Em curso
2024/09 - 2025/10 Understanding Sn-zeolites under operando conditions using Neural Network Potentials
open-32-2
Investigador responsável
Vysoká škola bánská - Technická univerzita Ostrava IT4Innovations národní superpocítacové centrum
Concluído
2025/03 - 2025/03 Unveiling the mechanism of proton transfer in H2O-loaded zeolites
2420234
Investigador responsável
ISIS Pulsed Neutron and Muon Source
2022/04 - 2023/12 Towards an atomic-level understanding of the interaction of probe molecules with acid sites in zeolites
hbc00056
Co-Investigador Responsável (Co-IR)
Norddeutscher Verbund für Hoch- und Höchstleistungsrechnen - HLRN
Concluído
2022/05/11 - 2022/05/15 Real-Time Monitoring of Diffusion and Accessibility of Methylpyridines to Acid Sites Within ZSM-5 Zeolites
SM25522
Universidade de Aveiro CICECO, Portugal
 Diamond Light Source Ltd
Em curso
2019/01/01 - 2019/12/31 CICECO-Instituto de Materiais de Aveiro
UID/CTM/50011/2019
LA/P/0006/2020
10.54499/LA/P/0006/2020
Universidade de Aveiro, Portugal

Universidade de Aveiro CICECO, Portugal
 Fundação para a Ciência e a Tecnologia
Concluído
2019/11/25 - 2019/11/27 Unraveling the structure of Brønsted/Lewis acid sites using probe molecules and smart control of HZSM-5 zeolite (extra)framework composition
DIR-170
Universidade de Aveiro CICECO, Portugal
 Institut Laue-Langevin
Em curso
Produções

Publicações

Artigo em revista
  1. Daniel Willimetz; Joaquin Martínez-Ortigosa; Deborah Brako-Amoafo; Lukáš Grajciar; J. Alejandro Vidal-Moya; Carlos Bornes; Vincent Sarou-Kanian; et al. "Aluminium siting in zeolite RTH from a combined machine learning – NMR approach". Journal of Materials Chemistry A (2026): https://doi.org/10.1039/D5TA09253A.
    10.1039/D5TA09253A
  2. Chen Lei; Carlos Bornes; Oscar Bengtsson; Andreas Erlebach; Ben Slater; Lukas Grajciar; Christopher J. Heard. "A machine learning approach for dynamical modelling of Al distributions in zeolites via23Na/27Al solid-state NMR". Faraday Discussions (2025): https://doi.org/10.1039/D4FD00100A.
    10.1039/D4FD00100A
  3. Pavel Zelenovskii; Márcio Soares; Carlos Bornes; Ildefonso Marin-Montesinos; Mariana Sardo; Svitlana Kopyl; Andrei Kholkin; Luís Mafra; Filipe Figueiredo. "Detection of helical water flows in sub-nanometer channels". Nature Communications (2024): https://doi.org/10.1038/s41467-024-49878-7.
    10.1038/s41467-024-49878-7
  4. Shivangi N. Borate; Nohor “River” Samad; Stephen C. Purdy; Junyan Zhang; Carlos Bornes; Michael J. Cordon; Meijun Li; et al. "Quantification of active sites in yttrium containing dealuminated Beta zeolites during conversion of ethanol and acetaldehyde to butadiene". Journal of Catalysis (2024): https://doi.org/10.1016/j.jcat.2024.115468.
    10.1016/j.jcat.2024.115468
  5. Serena Lima; Elisa I. García-López; Igor Krivtsov; Marina Ilkaeva; Carlos Bornes; Luís Mafra; Leonarda F. Liotta; et al. "Valorisation of microalga Chlorella sp. into furans in the presence of Nb2O5 catalysts". Journal of Catalysis (2024): https://doi.org/10.1016/j.jcat.2024.115457.
    10.1016/j.jcat.2024.115457
  6. Carlos Bornes; Carlos F.G.C. Geraldes; João Rocha; Luís Mafra. "Investigating trimethylphosphine oxide interactions with Brønsted and Lewis acid sites in zeolites: A comparative solid-state NMR study of wet-phase and gas-phase adsorption techniques". Microporous and Mesoporous Materials (2023): https://doi.org/10.1016/j.micromeso.2023.112666.
    10.1016/j.micromeso.2023.112666
  7. Carlos Bornes; Isabel C.M.S. Santos-Vieira; Ricardo Vieira; Luis Mafra; Mário M.Q. Simões; João Rocha. "Challenges and opportunities for zeolites in biomass upgrading: Impediments and future directions". Catalysis Today 419 (2023): 114159-114159. http://dx.doi.org/10.1016/j.cattod.2023.114159.
    10.1016/j.cattod.2023.114159
  8. Carlos Bornes; Dusan Stosic; Carlos F. G. C. Geraldes; Svetlana Mintova; João Rocha; Luís Mafra. "Elucidating the Nature of the External Acid Sites of ZSM-5 Zeolites Using NMR Probe Molecules". Chemistry – A European Journal (2022): https://doi.org/10.1002/chem.202201795.
    10.1002/chem.202201795
  9. Michael Fischer; Carlos Bornes; Luís Mafra; João Rocha. "Elucidating the Germanium Distribution in ITQ-13 Zeolites by Density Functional Theory**". Chemistry – A European Journal (2022): https://doi.org/10.1002/chem.202104298.
    10.1002/chem.202104298
  10. Carlos Bornes; Michael Fischer; Jeffrey A. Amelse; Carlos F. G. C. Geraldes; João Rocha; Luís Mafra. "What Is Being Measured with P-Bearing NMR Probe Molecules Adsorbed on Zeolites?". Journal of the American Chemical Society (2021): https://doi.org/10.1021/jacs.1c05014.
    10.1021/jacs.1c05014
  11. Bornes, Carlos. "Quantification of Brønsted Acid Sites in Zeolites by Water Desorption Thermogravimetry". European Journal of Inorganic Chemistry (2020): http://dx.doi.org/10.1002/ejic.202000050.
    10.1002/ejic.202000050
  12. Helena I. S. Nogueira; Carlos Bornes; Sara Fateixa; Tito Trindade. "Raman and Fluorescence Imaging of Polyoxometalate Composite Agarose Films". European Journal of Inorganic Chemistry (2019): https://doi.org/10.1002/ejic.201801157.
    10.1002/ejic.201801157
  13. Carlos Bornes; Mariana Sardo; Zhi Lin; Jeffrey Amelse; Auguste Fernandes; Maria Filipa Ribeiro; Carlos Geraldes; João Rocha; Luís Mafra. "1H–31P HETCOR NMR elucidates the nature of acid sites in zeolite HZSM-5 probed with trimethylphosphine oxide". Chemical Communications 55 84 (2019): 12635-12638. https://doi.org/10.1039/C9CC06763A.
    10.1039/C9CC06763A
Poster em conferência
  1. Bornes, Carlos; Sardo, Mariana; Lin, Zhi; Amelse, Jeffrey; Rocha, João; Mafra, Luís. "New insight about the distribution of Brønsted and Lewis acid sites in zeolites using 31P solid-state NMR techniques". Trabalho apresentado em SMASH, 2019.
  2. Bornes, Carlos; Sardo, Mariana; Sequeira, Lisa; Lin, Zhi; Rocha, João; Mafra, Luís. "Solid-state investigation of zeolite acidity using trimethylphosphine oxide probe molecules". Trabalho apresentado em 6th Portuguese Young Chemist Meeting, 2018.
Pré-impressão
  1. Bornes, Carlos. Autor correspondente: Bornes, Carlos. "An Accurate Tensorial Model for Prediction of Full Zeolite NMR Spectra". 2026. https://arxiv.org/abs/2603.22268.
  2. Daniel Willimetz; Joaquin Martinez-Ortigosa; Deborah Brako-Amoafo; Lukáš Grajciar; Alejandro Vidal-Moya; Carlos Bornes; Vincent Sarou-Kanian; et al. "Aluminum Siting in Zeolite RTH From a Combined Machine Learning - NMR Approach". 2025. https://doi.org/10.26434/chemrxiv-2025-1p3dj.
    10.26434/chemrxiv-2025-1p3dj
  3. Jakob Brauer; Richard Kendra; Carlos Bornes; Lukáš Grajciar; Michael Fischer. "Diffusion of Carbamazepine in Hydrophobic Zeolites: A Comparative Study Using Classical and Machine-Learned Potentials". 2025. https://doi.org/10.26434/chemrxiv-2025-7x5nf.
    10.26434/chemrxiv-2025-7x5nf
Resumo em conferência
  1. Ilkaeva, Marina; Lima, Serena; Elisa García-López; Krivtsov, Igor; Bornes, Carlos; Mafra, Luís; Marcì, Giuseppe. "Unveiling acid sites of Nb2O5 for microalga Chlorella sp. conversion by ssNMR". Trabalho apresentado em RIA43 43 Iberian Adsorption Meeting, Porto, 2024.
Tese / Dissertação
  1. Bornes, Carlos Manuel Pereira. "Study of zeolites acidic properties using solid-state NMR". Mestrado, 2017. http://hdl.handle.net/10773/22764.
Atividades

Apresentação oral de trabalho

Título da apresentação Nome do evento
Anfitrião (Local do evento)
2025/09 ML-accelerated solid-state NMR simulation of zeolites Numerical simulation, optimization, and Nuclear Magnetic Resonance
INGREDIENT (SEED4EU+) (Prague, República Checa)
2024/09 A machine learning approach for dynamical modelling of Al distributions in zeolites via 23Na/27Al solid-state NMR Faraday Discussions on NMR Crystallography
Royal Society of Chemistry (Birmingham, Reino Unido)
2024/09 Operando simulation of zeolites using machine-learning methods SMARTER 8
University of Aveiro (Aveiro, Portugal)
2021/12 Atomic-level description of 31P-bearing NMR probe molecules adsorbed on zeolites XI Meeting on Catalysis and Porous Materials
Portuguese Society of Chemistry (Aveiro, Portugal)
2021/07 What is being measured with P-bearing NMR probe molecules adsorbed on zeolites? FEZA 2021
Federation of the European Zeolite Associations (Brighton, Reino Unido)
2021/03/24 Are phosphorous-bearing molecules a reliable probe of zeolite’s acidity? CMS 2021: Computer Modeling and Simulation Day
University of Aveiro (Aveiro, Portugal)

Orientação

Título / Tema
Papel desempenhado		 Curso (Tipo)
Instituição / Organização
2026/01/01 - 2030/12/31 Unraveling Zeolite Acidity: An Integrated Approach Combining Tailored Synthesis, Advanced Spectroscopy, Computational Modelling and Catalytic Evaluation
Coorientador
 Chemistry (Doutoramento)
Universidade de Aveiro, Portugal

Univerzita Karlova Katedra fyzikální a makromolekulární chemie, República Checa

Curso / Disciplina lecionado

Disciplina Curso (Tipo) Instituição / Organização
2019/05 - 2019/05 Solid-sate NMR of zeolites and silicates Doctoral Programme in Nuclear Magnetic Resonance Applied to Chemistry, Materials and Biosciences – PTNMRPhD (Curso de doutoramento (conclusão de unidades curriculares)) Universidade de Aveiro, Portugal
Distinções

Prémio

2024 Best PhD thesis in Chemistry
Fundação Amélia de Mello, Portugal
2019 Winner of Galp Datathon - A quest for a solution
Galp Exploração e Produção Petrolífera SA, Portugal