Computational Material Design
Organization Name
Computational Material Design
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Active Organization Unit
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Results 1-14 of 14 (Search time: 0.002 seconds).
Issue Date | Title | Author(s) | |||
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1 | 27-Nov-2020 | Voltage hysteresis during lithiation/delithiation of graphite associated with meta-stable carbon stackings | Mercer, Michael; Peng, Chao; Soares, Cindy; Hoster, Harry; Kramer, Denis | ||
2 | 5-Aug-2021 | UItra-low friction and edge-pinning effect in large-lattice-mismatch van der Waals heterostructures | Liao, Mengzhou; Nicolini, Paolo; Du, Luojun; Yuan, Jiahao; Wang, Shuopei; Yu, Hua; Tang, Jian; Cheng, Peng; Watanabe, Kenji; Taniguchi, Takashi; Gu, Lin; Claerbout, Victor E.P.; Silva, Andrea; Kramer, Denis ; Polcar, Tomas; Yang, Rong; Shi, Dongxia; Zhang, Guangyu | ||
3 | 7-Dec-2021 | Pushing the boundaries of lithium battery research with atomistic modelling on dfferent scales | Morgan, Lucy; Mercer, Michael; Bhandari, Arihant; Peng, Chao; Islam, Mazharul M.; Yang, Hui; Holland, Julian Oliver; Coles, Samuel William; Sharpe, Ryan; Walsh, Aron; Morgan, Benjamin J.; Kramer, Denis ; Islam, Saiful M.; Hoster, Harry; Edge, Jacqueline Sophie; Skylaris, Chris-Kriton | ||
4 | 9-Apr-2020 | Practical approach to large-scale electronic structure calculations in electrolyte solutions via continuum-embedded linear-scaling density functional theory | Dziedzic, Jacek; Bhandari, Arihant; Anton, Lucian; Peng, Chao; Womack, James C.; Famili, Marjan; Kramer, Denis ; Skylaris, Chris-Kriton | ||
5 | 25-Sep-2020 | Phase behaviour of (Ti:Mo) S2 binary alloys arising from electron-lattice coupling | Andrea Silva; Tomas Polcar; Kramer, Denis | ||
6 | 4-Jun-2021 | OpenImpala: OPEN source IMage based PArallisable Linear Algebra solver | Le Houx, James; Kramer, Denis | ||
7 | 13-Dec-2021 | Multi-scale model predicting friction of crystalline materials | Torche, Paola C.; Silva, Andrea; Kramer, Denis ; Polcar, Tomas; Hovorka, Ondrej | ||
8 | 20-Jul-2021 | Mechanism of Li nucleation at graphite anodes and mitigation strategies | Peng, Chao; Bhandari, Arihant; Dziedzic, Jacek; Owen, John R.; Skylaris, Chris-Kriton; Kramer, Denis | ||
9 | 7-Oct-2020 | Exploring the stability of twisted van der Waals heterostructures | Silva, Andrea; Claerbout, Victor Emile Phillippe; Polcar, Tomas; Kramer, Denis ; Nicolini, Paolo | ||
10 | 2020 | Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces | Bhandari, Arihant; Anton, Lucian; Dziedzic, Jacek; Peng, Chao; Kramer, Denis ; Skylaris, Chris-Kriton | ||
11 | 12-Jul-2021 | Electrochemistry from first-principles in the grand canonical ensemble | Bhandari, Arihant; Peng, Chao; Dziedzic, Jacek; Anton, Lucian; Owen, John R.; Kramer, Denis ; Skylaris, Chris-Kriton | ||
12 | 2020 | Effect of tomography resolution on calculation of microstructural properties for lithium ion porous electrodes | Le Houx, James; Osenberg, Markus; Neumann, Matthias; Binder, Joachim R.; Schmidt, Volker; Manke, Ingo; Carraro, Thomas ; Kramer, Denis | ||
13 | 4-Mar-2021 | Advances in prevention of thermal runaway in lithium-ion batteries | McKerracher, Rachel; Guzman Guemez, Jorge; Wills, Richard; Kramer, Denis ; Sharkh, Suleiman | ||
14 | 2020 | A quick and versatile one step metal–organic chemical deposition method for supported Pt and Pt-alloy catalysts | Jackson, Colleen; Smith, Graham T.; Mpofu, Nobuhle; Dawson, Jack M.S.; Khoza, Thulile; September, Caelin; Taylor, Susan M.; Inwood, David W.; Leach, Andrew; Kramer, Denis ; Russell, Andrea E.; Kucernak, Anthony R.; Levecque, Pieter |
OrgUnit's Researchers publications
(Dept/Workgroup Publication)
Results 1-3 of 3 (Search time: 0.002 seconds).
Issue Date | Title | Author(s) | |||
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1 | 12-Jul-2021 | Electrochemistry from first-principles in the grand canonical ensemble | Bhandari, Arihant; Peng, Chao; Dziedzic, Jacek; Anton, Lucian; Owen, John R.; Kramer, Denis ; Skylaris, Chris-Kriton | ||
2 | 2020 | Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces | Bhandari, Arihant; Anton, Lucian; Dziedzic, Jacek; Peng, Chao; Kramer, Denis ; Skylaris, Chris-Kriton | ||
3 | 9-Apr-2020 | Practical approach to large-scale electronic structure calculations in electrolyte solutions via continuum-embedded linear-scaling density functional theory | Dziedzic, Jacek; Bhandari, Arihant; Anton, Lucian; Peng, Chao; Womack, James C.; Famili, Marjan; Kramer, Denis ; Skylaris, Chris-Kriton |