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Thomas Bligaard

Technical University of Denmark

74H指数
194论文数
5.5W被引数
收录论文 70
发表时间
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Open gas-cell transmission electron microscopy at 0.5 Å information limit开放式气体电池透射电子显微镜在0.5 Å信息极限
errUltramicroscopy
IF2
err2026-02-01
err1
PREAI
errBiran, Idan; Dam, Frederik; Kaptain, Sophie Kargo; Villoro, Ruben Bueno; Wirix, Maarten; Kisielowski, Christian; Vesborg, Peter C. K.; Kibsgaard, Jakob; Bligaard, Thomas; Damsgaard, Christian D.; Jinschek, Joerg R.; Helveg, Stig
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Advancing Transmission Electron Microscopy with an Open Gas Cell and Sub-0.5Å Resolution
errMicroscopy and Microanalysis
IF3
err2025-07-25
err0
errOAAI
errIdan Biran; Frederik Dam; Sophie Kargo Kaptain; Ruben Bueno Villoro; Christian Kisielowski; Maarten Wirix; Dennis Cats; Narasimha Shastri; Wessel Haasnoot; Peter C K Vesborg; Jakob Kibsgaard; Thomas Bligaard; Christian D Damsgaard; Joerg R Jinschek; Stig Helveg
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Global atomic structure optimization through machine-learning-enabled barrier circumvention in extra dimensions通过机器学习在额外维度上实现屏障规避的全局原子结构优化
errnpj Computational Materials
IF11.9
err2025-07-10
err0
errOAAI
errCasper Larsen; Sami Kaappa; Andreas Lynge Vishart; Thomas Bligaard; Karsten Wedel Jacobsen
err分享
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Tribute to Jens K. Norskov向Jens K. Norskov致敬
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-01-16
err0
PREAI
errAbild-Pedersen, Frank; Bligaard, Thomas; Rossmeisl, Jan; Greeley, Jeffrey
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Benchmarking water adsorption on metal surfaces with ab initio molecular dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-26
err4
PREAI
errXu, Mianle; Liu, Sihang; Vijay, Sudarshan; Bligaard, Thomas; Kastlunger, Georg
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GPAW: An open Python package for electronic structure calculationsGPAW: 一个用于电子结构计算的开放Python包
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-07
err58
errOAAI
errMortensen, Jens Jorgen; Larsen, Ask Hjorth; Kuisma, Mikael; Ivanov, Aleksei V.; Taghizadeh, Alireza; Peterson, Andrew; Haldar, Anubhab; Dohn, Asmus Ougaard; Schafer, Christian; Jonsson, Elvar Orn; Hermes, Eric D.; Nilsson, Fredrik Andreas; Kastlunger, Georg; Levi, Gianluca; Jonsson, Hannes; Hakkinen, Hannu; Fojt, Jakub; Kangsabanik, Jiban; Sodequist, Joachim; Lehtomaki, Jouko; Heske, Julian; Enkovaara, Jussi; Winther, Kirsten Trostrup; Dulak, Marcin; Melander, Marko M.; Ovesen, Martin; Louhivuori, Martti; Walter, Michael; Gjerding, Morten; Lopez-Acevedo, Olga; Erhart, Paul; Warmbier, Robert; Wuerdemann, Rolf; Kaappa, Sami; Latini, Simone; Boland, Tara Maria; Bligaard, Thomas; Skovhus, Thorbjorn; Susi, Toma; Maxson, Tristan; Rossi, Tuomas; Chen, Xi; Schmerwitz, Yorick Leonard A.; Schiotz, Jakob; Olsen, Thomas; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer
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Grand Canonical DFT Investigation of the CO2RR and HER Reaction Mechanisms on MoTe2 Edges
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-09-18
err12
errOAAI
errPedersen, Pernille D.; Melander, Marko M.; Bligaard, Thomas; Vegge, Tejs; Honkala, Karoliina; Hansen, Heine A.
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Machine-learning-enabled optimization of atomic structures using atoms with fractional existence
errPHYSICAL REVIEW B
IF3.7
err2023-06-15
err4
errOAAI
errLarsen, Casper; Kaappa, Sami; Vishart, Andreas Lynge; Bligaard, Thomas; Jacobsen, Karsten Wedel
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Trends in CO2 Reduction on Transition Metal Dichalcogenide Edges过渡金属二硫族化物边缘的CO2还原趋势
errACS CATALYSIS
IF13.1
err2023-01-31
err14
PREAI
errPedersen, Pernille D.; Vegge, Tejs; Bligaard, Thomas; Hansen, Heine A.
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MCML: Combining physical constraints with experimental data for a multi-purpose meta-generalized gradient approximation
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-08-18
err10
errOAAI
errBrown, Kristopher; Maimaiti, Yasheng; Trepte, Kai; Bligaard, Thomas; Voss, Johannes
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Theory-Aided Discovery of Metallic Catalysts for Selective Propane Dehydrogenation to Propylene丙烷选择性脱氢制丙烯金属催化剂的理论辅助发现
errACS CATALYSIS
IF13.1
err2021-05-10
err31
errOAAI
errWang, Tao; Cui, Xinjiang; Winther, Kirsten T.; Abild-Pedersen, Frank; Bligaard, Thomas; Norskov, Jens K.
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Machine learning with bond information for local structure optimizations in surface science
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-21
err13
errOAAI
errdel Rio, Estefania Garijo; Kaappa, Sami; Torres, Jose A. Garrido; Bligaard, Thomas; Jacobsen, Karsten Wedel
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A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2020-11-23
err54
errOAAI
errMamun, Osman; Winther, Kirsten T.; Boes, Jacob R.; Bligaard, Thomas
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Enhanced CO tolerance of Pt clusters supported on graphene with lattice vacancies
errPHYSICAL REVIEW B
IF3.7
err2020-08-04
err20
errOAAI
errHamamoto, Yuji; Wella, Sasfan Arman; Inagaki, Kouji; Abild-Pedersen, Frank; Bligaard, Thomas; Hamada, Ikutaro; Morikawa, Yoshitada
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Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction主动学习加速发现稳定的氧化铱多晶型物用于析氧反应
errCHEMISTRY OF MATERIALS
IF7
err2020-06-18
err105
errOAAI
errFlores, Raul A.; Paolucci, Christopher; Winther, Kirsten T.; Jain, Ankit; Torres, Jose Antonio Garrido; Aykol, Muratahan; Montoya, Joseph; Norskov, Jens K.; Bajdich, Michal; Bligaard, Thomas
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DFT simulation of the X-ray diffraction pattern of aluminum-ion-intercalated graphite used as the cathode material of the aluminum-ion batteryDFT模拟铝离子插层石墨用作铝离子电池正极材料的x射线衍射图
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2020-01-01
err25
errOAAI
errLi, Jiang; Liu, Qinghua; Flores, Raul Abram; Lemmon, John; Bligaard, Thomas
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Autonomous intelligent agents for accelerated materials discovery
errCHEMICAL SCIENCE
IF7.4
err2020-01-01
err68
errOAAI
errMontoya, Joseph H.; Winther, Kirsten T.; Flores, Raul A.; Bligaard, Thomas; Hummelshoj, Jens S.; Aykol, Muratahan
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The Materials Research Platform: Defining the Requirements from User Stories
errMATTER
IF17.5
err2019-12-01
err22
errOAAI
errAykol, Muratahan; Hummelshoj, Jens S.; Anapolsky, Abraham; Aoyagi, Koutarou; Bazant, Martin Z.; Bligaard, Thomas; Braatz, Richard D.; Broderick, Scott; Cogswell, Daniel; Dagdelen, John; Drisdell, Walter; Garcia, Edwin; Garikipati, Krishna; Gavini, Vikram; Gent, William E.; Giordano, Livia; Gomes, Carla P.; Gomez-Bombarelli, Rafael; Gopal, Chirranjeevi Balaji; Gregoire, John M.; Grossman, Jeffrey C.; Herring, Patrick; Hung, Linda; Jaramillo, Thomas F.; King, Laurie; Kwon, Ha-Kyung; Maekawa, Ryosuke; Minor, Andrew M.; Montoya, Joseph H.; Mueller, Tim; Ophus, Colin; Rajan, Krishna; Ramprasad, Rampi; Rohr, Brian; Schweigert, Daniel; Shao-Horn, Yang; Suga, Yoshinori; Suram, Santosh K.; Viswanathan, Venkatasubramanian; Whitacre, Jay F.; Willard, Adam P.; Wodo, Olga; Wolverton, Chris; Storey, Brian D.
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Adsorption on transition metal surfaces: Transferability and accuracy of DFT using the ADS41 dataset
errPHYSICAL REVIEW B
IF3.7
err2019-07-29
err72
errOAAI
errSharada, Shaama Mallikarjun; Karlsson, Rasmus K. B.; Maimaiti, Yasheng; Voss, Johannes; Bligaard, Thomas
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Machine Learning for Computational Heterogeneous Catalysis计算非均相催化的机器学习
errCHEMCATCHEM
IF3.9
err2019-06-18
err271
PREAI
errLamoureux, Philomena Schlexer; Winther, Kirsten T.; Torres, Jose Antonio Garrido; Streibel, Verena; Zhao, Meng; Bajdich, Michal; Abild-Pedersen, Frank; Bligaard, Thomas
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研究方向

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