Interlayer Excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures von Latini, Simone, Winther, Kirsten T, Olsen, Thomas, Thygesen, Kristian S

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Machine Learning for Computational Heterogeneous Catalysis von Schlexer Lamoureux, Philomena, Winther, Kirsten T., Garrido Torres, Jose Antonio, Streibel, Verena, Zhao, Meng, Bajdich, Michal, Abild‐Pedersen, Frank, Bligaard, Thomas

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Synergistic effects of mixing and strain in high entropy spinel oxides for oxygen evolution reaction von Baek, Jihyun, Hossain, Md Delowar, Mukherjee, Pinaki, Lee, Junghwa, Winther, Kirsten T., Leem, Juyoung, Jiang, Yue, Chueh, William C., Bajdich, Michal, Zheng, Xiaolin

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Catalysis-Hub.org, an open electronic structure database for surface reactions von Winther, Kirsten T., Hoffmann, Max J., Boes, Jacob R., Mamun, Osman, Bajdich, Michal, Bligaard, Thomas

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High-throughput calculations of catalytic properties of bimetallic alloy surfaces von Mamun, Osman, Winther, Kirsten T., Boes, Jacob R., Bligaard, Thomas

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A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts von Mamun, Osman, Winther, Kirsten T., Boes, Jacob R., Bligaard, Thomas

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Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction von Flores, Raul A, Paolucci, Christopher, Winther, Kirsten T, Jain, Ankit, Torres, Jose Antonio Garrido, Aykol, Muratahan, Montoya, Joseph, Nørskov, Jens K, Bajdich, Michal, Bligaard, Thomas

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Understanding the Electronic and Structural Effects in ORR Intermediate Binding on Anion‐Substituted Zirconia Surfaces von Sinha, Sukanya, Vegge, Tejs, Winther, Kirsten T., Hansen, Heine Anton

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Autonomous intelligent agents for accelerated materials discovery von Montoya, Joseph H, Winther, Kirsten T, Flores, Raul A, Bligaard, Thomas, Hummelshøj, Jens S, Aykol, Muratahan

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Band structure engineering in van der Waals heterostructures via dielectric screening: the GΔW method von Winther, Kirsten T, Thygesen, Kristian S

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Theory-Aided Discovery of Metallic Catalysts for Selective Propane Dehydrogenation to Propylene von Wang, Tao, Cui, Xinjiang, Winther, Kirsten T., Abild-Pedersen, Frank, Bligaard, Thomas, Norskov, Jens K.

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Application of machine learning to discover new intermetallic catalysts for the hydrogen evolution and the oxygen reduction reactions von Martínez-Alonso, Carmen, Vassilev-Galindo, Valentin, Comer, Benjamin M, Abild-Pedersen, Frank, Winther, Kirsten T, LLorca, Javier

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Local Plasmon Engineering in Doped Graphene von Hage, Fredrik Sydow, Hardcastle, Trevor P, Gjerding, Morten N, Kepaptsoglou, Demie M, Seabourne, Che R, Winther, Kirsten T, Zan, Recep, Amani, Julian Alexander, Hofsaess, Hans C, Bangert, Ursel, Thygesen, Kristian S, Ramasse, Quentin M

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Efficient many-body calculations for two-dimensional materials using exact limits for the screened potential: Band gaps of MoS2, h-BN, and phosphorene von Rasmussen, Filip A, Schmidt, Per S, Winther, Kirsten T, Thygesen, Kristian S

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Interlayer Excitons and Band Alignment in MoS 2 /hBN/WSe 2 van der Waals Heterostructures von Latini, Simone, Winther, Kirsten T, Olsen, Thomas, Thygesen, Kristian S

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Effect of edge plasmons on the optical properties of MoS2 monolayer flakes von Rossi, Tuomas P, Winther, Kirsten T, Jacobsen, Karsten W, Nieminen, Risto M, Puska, Martti J, Thygesen, Kristian S

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Localized Plasmon Response Engineering in B- and N-Doped Graphene von Hage, Fredrik S., Kepaptsoglou, Demie M., Hardcastle, Trevor P., Gjerding, Morten N., Winther, Kirsten T., Amani, Julian A., Hofsaess, Hans C., Thygesen, Kristian S., Ramasse, Quentin M.

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Unraveling Electronic Trends in O and OH Surface Adsorption in the MO2 Transition-Metal Oxide Series von Comer, Benjamin M., Li, Jiang, Abild-Pedersen, Frank, Bajdich, Michal, Winther, Kirsten T.

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Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors von Comer, Benjamin M., Bothra, Neha, Lunger, Jaclyn R., Abild-Pedersen, Frank, Bajdich, Michal, Winther, Kirsten T.

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Unraveling Electronic Trends in O and OH Surface Adsorption in the MO 2 Transition-Metal Oxide Series von Comer, Benjamin M., Li, Jiang, Abild-Pedersen, Frank, Bajdich, Michal, Winther, Kirsten T.

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