Thomas Bligaard

Technical University of Denmark — Denmark

Materials Science · Physical Sciences

74h-index54.4kcitations194works28.32yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Catalytic Processes in Materials Science(85), Machine Learning in Materials Science(58), Electrocatalysts for Energy Conversion(42), Catalysis and Oxidation Reactions(39), Advanced Chemical Physics Studies(36)

Publications193 total

Open gas-cell transmission electron microscopy at 0.5 Å information limit
Ultramicroscopy·2026
Global atomic structure optimization through machine-learning-enabled barrier circumvention in extra dimensions
npj Computational Materials·2025· 2 citedOpen Access
Advancing Transmission Electron Microscopy with an Open Gas Cell and Sub-0.5Å Resolution
Microscopy and Microanalysis·2025Open Access
Tribute to Jens K. Nørskov
The Journal of Physical Chemistry C·2025· 1 cited
Benchmarking water adsorption on metal surfaces with <i>ab initio</i> molecular dynamics
The Journal of Chemical Physics·2024· 16 cited
GPAW: An open Python package for electronic structure calculations
The Journal of Chemical Physics·2024· 204 citedOpen Access
Benchmarking water adsorption on metal surfaces with ab-initio molecular dynamics
2024· 2 citedOpen Access
Imaging Atomic Processes in Catalysts using a New High-Order Imaged-Corrected Environmental-TEM
BIO Web of Conferences·2024· 1 citedOpen Access
GPAW: An open Python package for electronic-structure calculations
arXiv (Cornell University)·2023· 11 citedOpen Access
Grand Canonical DFT Investigation of the CO2RR and HER Reaction Mechanisms on MoTe<sub>2</sub> Edges
The Journal of Physical Chemistry C·2023· 23 citedOpen Access
Machine-learning-enabled optimization of atomic structures using atoms with fractional existence
Physical review. B./Physical review. B·2023· 7 cited
Trends in CO<sub>2</sub> Reduction on Transition Metal Dichalcogenide Edges
ACS Catalysis·2023· 30 cited
Machine-learning enabled optimization of atomic structures using atoms with fractional existence
arXiv (Cornell University)·2022Open Access
Enriching Surface‐Accessible CO<sub>2</sub> in the Zero‐Gap Anion‐Exchange‐Membrane‐Based CO<sub>2</sub> Electrolyzer
Angewandte Chemie International Edition·2022· 49 citedOpen Access
Enriching Surface‐Accessible CO<sub>2</sub> in the Zero‐Gap Anion‐Exchange‐Membrane‐Based CO<sub>2</sub> Electrolyzer
Angewandte Chemie·2022· 1 citedOpen Access
On the role of Zr to facilitate the synthesis of diesel and jet fuel range intermediates from biomass-derived carbonyl compounds over aluminum phosphate
Applied Catalysis B: Environmental·2022· 22 citedOpen Access
<scp>MCML</scp>: Combining physical constraints with experimental data for a multi‐purpose meta‐generalized gradient approximation
Journal of Computational Chemistry·2021· 13 citedOpen Access
Theory-Aided Discovery of Metallic Catalysts for Selective Propane Dehydrogenation to Propylene
ACS Catalysis·2021· 39 citedOpen Access
A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts
npj Computational Materials·2020· 77 citedOpen Access
Enhanced CO tolerance of Pt clusters supported on graphene with lattice vacancies
Physical review. B./Physical review. B·2020· 21 citedOpen Access
page 1 of 10Next →

Frequent Co-authors

Jens K. Nørskov(40), Frank Abild‐Pedersen(21), Felix Studt(17), Jan Rossmeisl(14), Claus H. Christensen(9), Andrew J. Medford(7), Egill Skúlason(7), Hannes Jónsson(6), Karsten W. Jacobsen(5), Britt Hvolbæk(5), Á. Logadóttir(4), Aleksandra Vojvodić(4), Jens S. Hummelshøj(4), Søren Dahl(4), Jeff Greeley(4), Glenn Jones(4), Hanne Falsig(4), John R. Kitchin(3), Tejs Vegge(3), Jess Wellendorff(3)