Julian D. Gale
Affiliations: | Curtin University of Technology |
Area:
Computational chemistryGoogle:
"Julian Gale"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Anthony Cheetham | grad student | 1987-1990 | Oxford |
| C. Richard A. Catlow | post-doc | 1990-1993 | Royal Institution |
Children
Sign in to add trainee| Peter Spackman | post-doc | ||
| Luc M. LeBlanc | post-doc | 2019- | Curtin University |
| Peter Kraus | research scientist | 2020-2021 | Curtin University |
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Publications
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| Spackman PR, Spackman MA, Gale JD. (2023) A transferable quantum mechanical energy model for intermolecular interactions using a single empirical parameter. Iucrj. 10: 754-765 |
| Spackman PR, Walisinghe AJ, Anderson MW, et al. (2023) CrystalClear: an open, modular protocol for predicting molecular crystal growth from solution. Chemical Science. 14: 7192-7207 |
| Kraus P, Raiteri P, Gale JD. (2023) Computational workflows for perovskites: case study for lanthanide manganites. Physical Chemistry Chemical Physics : Pccp |
| Gale JD, LeBlanc LM, Spackman PR, et al. (2021) A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination. Journal of Chemical Theory and Computation |
| Hill AR, Cubillas P, Gebbie-Rayet JT, et al. (2020) : a generic computer program for Monte Carlo modelling of crystal growth. Chemical Science. 12: 1126-1146 |
| Raiteri P, Kraus P, Gale JD. (2020) Molecular dynamics simulations of liquid-liquid interfaces in an electric field: The water-1,2-dichloroethane interface. The Journal of Chemical Physics. 153: 164714 |
| García A, Papior N, Akhtar A, et al. (2020) Siesta: Recent developments and applications. The Journal of Chemical Physics. 152: 204108 |
| Raiteri P, Schuitemaker A, Gale JD. (2020) Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics. The Journal of Physical Chemistry. B |
| Lu BQ, Willhammar T, Sun BB, et al. (2020) Introducing the crystalline phase of dicalcium phosphate monohydrate. Nature Communications. 11: 1546 |
| Brugman SJT, Raiteri P, Accordini P, et al. (2020) The Calcite (104) Surface - Electrolyte Structure: a 3D Comparison of Surface X-ray Diffraction and Simulations Journal of Physical Chemistry C. 124: 18564-18575 |