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Thomas Ludwig
Thomas Ludwig
在 llnl.gov 的电子邮件经过验证
标题
引用次数
引用次数
年份
Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approaches
HH Heenen, JA Gauthier, HH Kristoffersen, T Ludwig, K Chan
The Journal of Chemical Physics 152 (14), 2020
1382020
Solvent–adsorbate interactions and adsorbate-specific solvent structure in carbon dioxide reduction on a stepped Cu surface
T Ludwig, JA Gauthier, KS Brown, S Ringe, JK Nørskov, K Chan
The Journal of Physical Chemistry C 123 (10), 5999-6009, 2019
732019
Mechanism of bismuth telluride exfoliation in an ionic liquid solvent
T Ludwig, L Guo, P McCrary, Z Zhang, H Gordon, H Quan, M Stanton, ...
Langmuir 31 (12), 3644-3652, 2015
592015
Modeling potential-dependent electrochemical activation barriers: revisiting the alkaline hydrogen evolution reaction
J Li, JH Stenlid, T Ludwig, PS Lamoureux, F Abild-Pedersen
Journal of the American Chemical Society 143 (46), 19341-19355, 2021
412021
Atomistic insight into cation effects on binding energies in Cu-catalyzed carbon dioxide reduction
T Ludwig, JA Gauthier, CF Dickens, KS Brown, S Ringe, K Chan, ...
The Journal of Physical Chemistry C 124 (45), 24765-24775, 2020
282020
Neural network sampling of the free energy landscape for nitrogen dissociation on ruthenium
EMY Lee, T Ludwig, B Yu, AR Singh, F Gygi, JK Nørskov, JJ de Pablo
The Journal of Physical Chemistry Letters 12 (11), 2954-2962, 2021
252021
Subsurface nitrogen dissociation kinetics in lithium metal from metadynamics
T Ludwig, AR Singh, JK Nørskov
The Journal of Physical Chemistry C 124 (48), 26368-26378, 2020
202020
Acetonitrile transition metal interfaces from first principles
T Ludwig, AR Singh, JK Nørskov
The Journal of Physical Chemistry Letters 11 (22), 9802-9811, 2020
162020
Molecular dynamics simulation of bismuth telluride exfoliation mechanisms in different ionic liquid solvents
A Abedini, T Ludwig, Z Zhang, CH Turner
Langmuir 32 (39), 9982-9992, 2016
162016
Efficient Pd on carbon catalyst for ammonium formate dehydrogenation: Effect of surface oxygen functional groups
Z Dong, A Mukhtar, T Ludwig, SA Akhade, SY Kang, B Wood, K Grubel, ...
Applied Catalysis B: Environmental 321, 122015, 2023
92023
Nonaqueous Solvent Adsorption on Transition Metal Surfaces with Density Functional Theory: Interaction of N,N-Dimethylformamide (DMF), Tetrahydrofuran (THF …
T Ludwig, AR Singh, JK Nørskov
The Journal of Physical Chemistry C 125 (40), 21943-21957, 2021
42021
Influence of residual chlorine on Ru/TiO2 active sites during CO2 methanation
JM Crawford, BE Petel, MJ Rasmussen, T Ludwig, EM Miller, ...
Applied Catalysis A: General 663, 119292, 2023
32023
Silver-decorated palladium on carbon catalyst for enhanced ammonium formate dehydrogenation
Z Dong, A Mukhtar, T Ludwig, SA Akhade, W Hu, JZ Hu, K Grubel, ...
Catalysis Science & Technology 14 (2), 449-463, 2024
2024
Importance of Chlorine Removal from Ru/TiO2 Methanation Catalysts
J Crawford, BE Petel, M Rasmussen, M Griffin, T Ludwig, SH Pang, ...
The 28th North American Catalysis Society Meeting, 2023
2023
Insights into Chemical Reactions at Interfaces from Enhanced Sampling and Global Optimization Algorithms
T Ludwig
Stanford University, 2021
2021
Free Energy Surface of Nitrogen Dissociation on Ru (0001) from First Principles Molecular Dynamics with Enhanced Sampling Methods
T Ludwig, E Lee, J Norskov, J De Pablo
2020 Virtual AIChE Annual Meeting, 2020
2020
Theoretical Insight into the Surface Dynamics of Lithium-Mediated Nitrogen Activation
T Ludwig, J Norskov
2020 Virtual AIChE Annual Meeting, 2020
2020
Insight into Nonaqueous Solvent Transition Metal Interfaces from First Principles Calculations
T Ludwig, K Chan, J Norskov
2020 Virtual AIChE Annual Meeting, 2020
2020
Insight into Electrolyte and Ion Effects in Carbon Dioxide Reduction Electrocatalysis
T Ludwig, K Chan, J Norskov
2020 Virtual AIChE Annual Meeting, 2020
2020
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