Computational Material Design
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Computational Material Design
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Results 1-14 of 14 (Search time: 0.001 seconds).
| Issue Date | Title | Author(s) | |||
|---|---|---|---|---|---|
| 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
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Results 1-20 of 25 (Search time: 0.005 seconds).
| Issue Date | Title | Author(s) | |||
|---|---|---|---|---|---|
| 1 | 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 | ||
| 2 | 28-May-2021 | Ab initio molecular dynamics study of AlCl4- adsorption on PEDOT conducting polymer chains | Craig, Benjamin; Skylaris, Chris-Kriton; Ponce De Leon Albarran, Carlos; Kramer, Denis | ||
| 3 | 4-Mar-2021 | Advances in prevention of thermal runaway in lithium-ion batteries | McKerracher, Rachel; Guzman Guemez, Jorge; Wills, Richard; Kramer, Denis ; Sharkh, Suleiman | ||
| 4 | 30-Jul-2007 | Celtec-V: a polybenzimidazole-based membrane for the direct methanol fuel cell | Gubler, Lorenz; Kramer, Denis ; Belack, Jörg; Ünsal, Ömer; Schmidt, Thomas Justus; Scherer, Günther G. | ||
| 5 | 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 | ||
| 6 | 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 | ||
| 7 | 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 | ||
| 8 | 7-Oct-2020 | Exploring the stability of twisted van der Waals heterostructures | Silva, Andrea; Claerbout, Victor Emile Phillippe; Polcar, Tomas; Kramer, Denis ; Nicolini, Paolo | ||
| 9 |  | 2022 | Integrated Design Methodology for Advanced Functional Materials | Kramer, Denis ; Fortuin, Adrian ; Cao, Jiangming ; Thomas, Aleena Anna ; Pistidda, Claudio; Le, Thi Thu; Klassen, Thomas ; Höche, Daniel; Deng, Min; Störmer, Michael; Krishnamurthy, Gnanavel Vaidhyanathan | |
| 10 | 20-Jun-2019 | Lithium titanate/pyrenecarboxylic acid decorated carbon nanotubes hybrid - Alginate gel supercapacitor | Ojha, Manoranjan; Le Houx, James; Mukkabla, Radha; Kramer, Denis ; Wills, Richard George Andrew; Deepa, Melepurath | ||
| 11 | 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 | ||
| 12 | 13-Dec-2021 | Multi-scale model predicting friction of crystalline materials | Torche, Paola C.; Silva, Andrea; Kramer, Denis ; Polcar, Tomas; Hovorka, Ondrej | ||
| 13 | 2019 | Non-equilibrium crystallization pathways of manganese oxides in aqueous solution | Sun, Wenhao; Kitchaev, Daniil A.; Kramer, Denis ; Ceder, Gerbrand | ||
| 14 | 4-Jun-2021 | OpenImpala: OPEN source IMage based PArallisable Linear Algebra solver | Le Houx, James; Kramer, Denis | ||
| 15 | 25-Sep-2020 | Phase behaviour of (Ti:Mo) S2 binary alloys arising from electron-lattice coupling | Andrea Silva; Tomas Polcar; Kramer, Denis | ||
| 16 | 21-May-2020 | Physics based modelling of porous lithium ion battery electrodes - A review | Le Houx, James Peter; Kramer, Denis | ||
| 17 | 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 | ||
| 18 | 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 | ||
| 19 | 2019 | Resolving anomalies in the critical exponents of FePt using finite-size scaling in magnetic fields | Waters, Jonathon Michael; Kramer, Denis ; Sluckin, T.J.; Hovorka, Ondrej | ||
| 20 | 2-Nov-2005 | Spatially resolved characterization of PEFCs using simultaneously neutron radiography and locally resolved impedance spectroscopy | Schneider, Ingo A.; Kramer, Denis ; Wokaun, Alexander; Scherer, Günther |