Advances in the Realistic Simulation of Liquid-Solid Interfaces for Clean Energy
INVITED · MAR-L10 · ID: 2763317
Presentations
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Towards simulation driven materials design – decoding electrochemical interfaces at molecular level with emerging supercomputing resources
ORAL · Invited
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Publication: Tesch, Kowalski & Eikerling, J. Phys.: Condens. Matter 33, 444004 (2021)<br>Kowalski et al. Front. Energy Res. 10, 1096190 (2023)<br>Ting & Kowalski, Electrochim. Acta 443, 141912 (2023)<br>He et al., Angew. Chem., Int. Ed. 136, e202315371 (2023)<br>He et al., Nat, Commun. 14, 3498 (2023)
Presenters
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Piotr M Kowalski
Forschungszentrum Juelich
Authors
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Piotr M Kowalski
Forschungszentrum Juelich
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Constant inner potential DFT for modelling electrochemical systems under constant potential and bias
ORAL · Invited
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Publication: M.M. Melander, M.J. Kuisma, T.E.K. Christensen and K. Honkala J. Chem. Phys. 150, 041706 (2019)<br>M.M. Melander, T. Wu, T. Weckman, and K. Honkala npj Comp. Mater. 10, 1 (2024)
Presenters
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Karoliina Honkala
University of Jyväskylä
Authors
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Karoliina Honkala
University of Jyväskylä
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Spatial Organization of Organic Solvents at Interfaces and Its Consequences for Local Electric Potential
ORAL · Invited
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Presenters
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Zuzanna S Siwy
University of California, Irvine
Authors
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Zuzanna S Siwy
University of California, Irvine
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Kristen Alanis
Texas A&M, Texas A&M University
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Savannah Silva
University of California, Irvine
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Tilman Schaeffer
University of Tübingen, University of Tuebingen
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Narayana R Aluru
The University of Texas at Austin, University of Texas at Austin
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John T Fourkas
University of Maryland College Park
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Lane Baker
Texas A&M, Texas A&M Universtiy
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Abstract Withdrawn
ORAL · Invited · Withdrawn
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Large-Scale Molecular Dynamics Simulations on Chemical-Reaction-Induced Fracture and Wear Processes at Solid-Liquid Interface
ORAL · Invited
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Presenters
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Momoji Kubo
Authors
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Momoji Kubo
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