High-Throughput Aqueous Electrolyte Structure Prediction Using IonSolvR and Equivariant Graph Neural Network Potentials
- Creator: Baker, Sophie , Pagotto, Joshua , Duignan, Timothy T. , Page, Alister J.
- Resource Type: journal article
- Date: 2023
Group and period-based representations for improved machine learning prediction of heterogeneous alloy catalysts
- Creator: Li, Xinyu , Chiong, Raymond , Page, Alister J.
- Resource Type: journal article
- Date: 2021
Low-Cost Pt Alloys for Heterogeneous Catalysis Predicted by Density Functional Theory and Active Learning
- Creator: Li, Xinyu , Chiong, Raymond , Hu, Zhongyi , Page, Alister J.
- Resource Type: journal article
- Date: 2021
Materials design and optimization for next-generation solar cell and light-emitting technologies
- Creator: Manzhos, Sergei , Chueh, Chu-Chen , Giorgi, Giacomo , Kubo, Takaya , Saianand, Gopalan , Lüder, Johann , Sonar, Prashant , Ihara, Manabu
- Resource Type: journal article
- Date: 2021
Amphiphilically Nanostructured Deep Eutectic Solvents
- Creator: McDonald, Samila , Murphy, Thomas , Imberti, Silvia , Warr, Gregory G. , Atkin, Rob
- Resource Type: journal article
- Date: 2018
Li⁺ local structure in li-tetraglyme solvate ionic liquid revealed by neutron total scattering experiments with the ⁶/⁷Li Isotopic Substitution Technique (letter)
- Creator: Saito, Soshi , Watanabe, Hikari , Watanabe, Masayoshi , Kameda, Yasuo , Umebayashi, Yasuhiro , Hayashi, Yutaka , Matsugami, Masaru , Tsuzuki, Seji , Seki, Shiro , Canongia Lopes, José N. , Atkin, Rob , Ueno, Kazuhide , Dokko, Kaoru
- Resource Type: journal article
- Date: 2016
Molecular resolution in situ imaging of spontaneous graphene exfoliation
- Creator: Elbourne, Aaron , McLean, Ben , Voitchovsky, Kislon , Warr, Gregory G. , Atkin, Rob
- Resource Type: journal article
- Date: 2016
Ionic liquid adsorption and nanotribology at the silica-oil interface: hundred-fold dilution in oil lubricates as effectively as the pure ionic liquid
- Creator: Li, Hua , Cooper, Peter K. , Somers, Anthony E. , Rutland, Mark W. , Howlett, Patrick C. , Forsyth, Maria , Atkin, Rob
- Resource Type: journal article
- Date: 2014
Jumping, rotating, and flapping: the atomic-scale motion of thiophene on Cu(111)
- Creator: Lechner, Barbara A. J. , Sacchi, Marco , Jardine, Andrew P. , Hedgeland, Holly , Allison, William , Ellis, John , Jenkins, Stephen J. , Dastoor, Paul C. , Hinch, B. J.
- Resource Type: journal article
- Date: 2013
Revealing the dual role of hydrogen for growth inhibition and defect healing in polycyclic aromatic hydrocarbon formation: QM/MD simulations
- Creator: Li, Hai-Bei , Page, Alister J. , Irle, Stephan , Morokuma, Keiji
- Resource Type: journal article
- Date: 2013
Temperature dependence of catalyst-free chirality-controlled single-walled carbon nanotube growth from organic templates
- Creator: Li, Hai-Bei , Page, Alister J. , Irle, Stephan , Morokuma, Keiji
- Resource Type: journal article
- Date: 2013
Surprising particle stability and rapid sedimentation rates in an ionic liquid
- Creator: Smith, Jacob A. , Werzer, Oliver , Webber, Grant B. , Warr, Gregory G. , Atkin, Rob
- Resource Type: journal article
- Date: 2010