Publications
Selected publications
- Molecular simulation approaches to study crystal nucleation from solutions: Theoretical considerations and computational challenges (Journal article - 2024)
- Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations (Journal article - 2023)
- Electrochemistry, ion adsorption and dynamics in the double layer: a study of NaCl(aq) on graphite (Journal article - 2021)
- A classical view on nonclassical nucleation (Journal article - 2017)
2024
Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions.
Le, T. T. B., Finney, A. R., Zen, A., Bui, T., Tay, W. J., Chellappah, K., . . . Striolo, A. (2024). Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions.. Journal of chemical theory and computation, 20(4), 1612-1624. doi:10.1021/acs.jctc.3c00719
Electrified/charged aqueous interfaces: general discussion.
Advincula, X. R., Backus, E. H. G., Bonn, M., Cox, S. J., Diebold, U., Fellows, A., . . . Zhang, P. (2024). Electrified/charged aqueous interfaces: general discussion.. Faraday discussions, 249(0), 381-407. doi:10.1039/d3fd90065g
Ice interfaces: general discussion.
Advincula, X. R., Backus, E. H. G., Bartels-Rausch, T., Benaglia, S., Ben Ari, G., Blow, K. E., . . . Zhang, P. (2024). Ice interfaces: general discussion.. Faraday discussions, 249(0), 133-161. doi:10.1039/d3fd90063k
Properties of aqueous electrolyte solutions at carbon electrodes: effects of concentration and surface charge on solution structure, ion clustering and thermodynamics in the electric double layer.
Finney, A. R., & Salvalaglio, M. (2024). Properties of aqueous electrolyte solutions at carbon electrodes: effects of concentration and surface charge on solution structure, ion clustering and thermodynamics in the electric double layer.. Faraday discussions, 249(0), 334-362. doi:10.1039/d3fd00133d
Molecular simulation approaches to study crystal nucleation from solutions: Theoretical considerations and computational challenges
Finney, A. R., & Salvalaglio, M. (2024). Molecular simulation approaches to study crystal nucleation from solutions: Theoretical considerations and computational challenges. WIREs Computational Molecular Science, 14(1). doi:10.1002/wcms.1697
2023
Molecular simulation approaches to study crystal nucleation from solutions: theoretical considerations and computational challenges
Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations
Karmakar, T., Finney, A. R., Salvalaglio, M., Yazaydin, A. O., & Perego, C. (2023). Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations. ACCOUNTS OF CHEMICAL RESEARCH, 56(10), 1156-1167. doi:10.1021/acs.accounts.2c00811
Theoretical and computational approaches to study crystal nucleation from solution
Constant chemical potential-quantum mechanical-molecular dynamics simulations of the graphene-electrolyte double layer
Di Pasquale, N., Finney, A. R., Elliott, J. D., Carbone, P., & Salvalaglio, M. (2023). Constant chemical potential-quantum mechanical-molecular dynamics simulations of the graphene-electrolyte double layer. JOURNAL OF CHEMICAL PHYSICS, 158(13). doi:10.1063/5.0138267
A variational approach to assess reaction coordinates for two-step crystallization
Finney, A. R., & Salvalaglio, M. (2023). A variational approach to assess reaction coordinates for two-step crystallization. JOURNAL OF CHEMICAL PHYSICS, 158(9). doi:10.1063/5.0139842
Nucleation of Biomolecular Condensates from Finite-Sized Simulations
Li, L., Paloni, M., Finney, A. R., Barducci, A., & Salvalaglio, M. (2023). Nucleation of Biomolecular Condensates from Finite-Sized Simulations. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 1748-1755. doi:10.1021/acs.jpclett.2c03512
Properties of aqueous electrolyte solutions at carbon electrodes: effects of concentration and surface charge on solution structure, ion clustering and thermodynamics in the electric double layer
Finney, A. R., & Salvalaglio, M. (2023). Properties of aqueous electrolyte solutions at carbon electrodes: effects of concentration and surface charge on solution structure, ion clustering and thermodynamics in the electric double layer. FARADAY DISCUSSIONS. doi:10.1039/d3fd00133
2022
Nucleation of Biomolecular Condensates from Finite-Sized Simulations
Controlling polymorphism: general discussion
Cedeno, R., Cruz-Cabeza, A., Drummond-Brydson, R., Dudek, M. K., Edkins, K., Fichthorn, K., . . . Zhao, R. (2022). Controlling polymorphism: general discussion. FARADAY DISCUSSIONS, 235(0), 508-535. doi:10.1039/d2fd90023h
Growing crystals by design: general discussion
Anderson, M., Bennett, M., Cedeno, R., Dudek, M. K., Fichthorn, K., Finney, A. R., . . . Vekilov, P. (2022). Growing crystals by design: general discussion. FARADAY DISCUSSIONS, 235(0), 383-405. doi:10.1039/d2fd90022j
Multiple pathways in NaCl homogeneous crystal nucleation
Finney, A. R., & Salvalaglio, M. (2022). Multiple pathways in NaCl homogeneous crystal nucleation. FARADAY DISCUSSIONS, 235(0), 56-80. doi:10.1039/d1fd00089f
Understanding crystal nucleation mechanisms: where do we stand? General discussion
Anderson, M. W., Bennett, M., Cedeno, R., Colfen, H., Cox, S. J., Cruz-Cabeza, A. J., . . . Zeglinski, J. (2022). Understanding crystal nucleation mechanisms: where do we stand? General discussion. FARADAY DISCUSSIONS, 235(0), 219-272. doi:10.1039/d2fd90021a
Bridging the gap between mesoscopic and molecular models of solid/liquid interfaces out-of-equilibrium
Finney, A. R., & Salvalaglio, M. (2022). Bridging the gap between mesoscopic and molecular models of solid/liquid interfaces out-of-equilibrium. CHEMICAL ENGINEERING RESEARCH & DESIGN, 180, 285-295. doi:10.1016/j.cherd.2022.02.018
2021
Electrochemistry, ion adsorption and dynamics in the double layer: a study of NaCl(aq) on graphite
Finney, A. R., McPherson, I. J., Unwin, P. R., & Salvalaglio, M. (2021). Electrochemistry, ion adsorption and dynamics in the double layer: a study of NaCl(aq) on graphite. CHEMICAL SCIENCE, 12(33), 11166-11180. doi:10.1039/d1sc02289j
2020
Amino Acid and Oligopeptide Effects on Calcium Carbonate Solutions
Finney, A. R., Malini, R. I., Freeman, C. L., & Harding, J. H. (2020). Amino Acid and Oligopeptide Effects on Calcium Carbonate Solutions. CRYSTAL GROWTH & DESIGN, 20(5), 3077-3092. doi:10.1021/acs.cgd.9b01693
Halite Nucleation from Aqueous Solution
Finney, A., & Salvalaglio, M. (2020). Halite Nucleation from Aqueous Solution. In Goldschmidt Abstracts (pp. 714). Geochemical Society. doi:10.46427/gold2020.714
2019
Frontispiece: Ion Association in Lanthanide Chloride Solutions
Finney, A. R., Lectez, S., Freeman, C. L., Harding, J. H., & Stackhouse, S. (2019). Frontispiece: Ion Association in Lanthanide Chloride Solutions. Chemistry – A European Journal, 25(37). doi:10.1002/chem.201983763
Ion Association in Lanthanide Chloride Solutions
Finney, A. R., Lectez, S., Freeman, C. L., Harding, J. H., & Stackhouse, S. (2019). Ion Association in Lanthanide Chloride Solutions. CHEMISTRY-A EUROPEAN JOURNAL, 25(37), 8725-8740. doi:10.1002/chem.201900945
2017
The Water-Amorphous Calcium Carbonate Interface and Its Interactions with Amino Acids
Malini, R. I., Finney, A. R., Hall, S. A., Freeman, C. L., & Harding, J. H. (2017). The Water-Amorphous Calcium Carbonate Interface and Its Interactions with Amino Acids. CRYSTAL GROWTH & DESIGN, 17(11), 5811-5822. doi:10.1021/acs.cgd.7b00874
A classical view on nonclassical nucleation
Smeets, P. J. M., Finney, A. R., Habraken, W. J. E. M., Nudelman, F., Friedrich, H., Laven, J., . . . Sommerdijk, N. A. J. M. (2017). A classical view on nonclassical nucleation. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 114(38), E7882-E7890. doi:10.1073/pnas.1700342114
2015
Stability and Structure of Hydrated Amorphous Calcium Carbonate
Bushuev, Y. G., Finney, A. R., & Rodger, P. M. (2015). Stability and Structure of Hydrated Amorphous Calcium Carbonate. CRYSTAL GROWTH & DESIGN, 15(11), 5269-5279. doi:10.1021/acs.cgd.5b00771
Molecular dynamics screening for new kinetic inhibitors of methane hydrate
Oluwunmi, P. A., Finney, A. R., & Rodger, P. M. (2015). Molecular dynamics screening for new kinetic inhibitors of methane hydrate. CANADIAN JOURNAL OF CHEMISTRY, 93(9), 1043-1049. doi:10.1139/cjc-2015-0003
2012
Probing the structure and stability of calcium carbonate pre-nucleation clusters
Finney, A. R., & Rodger, P. M. (2012). Probing the structure and stability of calcium carbonate pre-nucleation clusters. FARADAY DISCUSSIONS, 159, 47-60. doi:10.1039/c2fd20054f
2011
Applying the Z method to estimate temperatures of melting in structure II clathrate hydrates
Finney, A. R., & Rodger, P. M. (2011). Applying the Z method to estimate temperatures of melting in structure II clathrate hydrates. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(44), 19979-19987. doi:10.1039/c1cp21919g