Ali Hassanali
Affiliations: | ICTP, Trieste, Grignano, Friuli-Venezia Giulia, Italy |
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Parents
Sign in to add mentor| Sherwin J. Singer | grad student | Ohio State | |
| Michele Parrinello | post-doc | ICTP, Trieste |
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Publications
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| Flór M, Wilkins DM, de la Puente M, et al. (2024) Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects. Science (New York, N.Y.). eads4369 |
| Perrone M, Capelli R, Empereur-Mot C, et al. (2023) Lessons Learned from Multiobjective Automatic Optimizations of Classical Three-Site Rigid Water Models Using Microscopic and Macroscopic Target Experimental Observables. Journal of Chemical and Engineering Data. 68: 3228-3241 |
| Di Pino S, Donkor ED, Sánchez VM, et al. (2023) ZundEig: The Structure of the Proton in Liquid Water from Unsupervised Learning. The Journal of Physical Chemistry. B. 127: 9822-9832 |
| Azizi K, Laio A, Hassanali A. (2023) Solvation thermodynamics from cavity shapes of amino acids. Pnas Nexus. 2: pgad239 |
| Di Pino S, Perez Sirkin Y, Morzan UN, et al. (2023) Water Self-Dissociation is Insensitive to Nanoscale Environments. Angewandte Chemie (International Ed. in English). e202306526 |
| Donkor ED, Laio A, Hassanali A. (2023) Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water. Journal of Chemical Theory and Computation |
| Offei-Danso A, Morzan UN, Rodriguez A, et al. (2023) The collective burst mechanism of angular jumps in liquid water. Nature Communications. 14: 1345 |
| Sengupta S, Gera R, Egan C, et al. (2022) Observation of Strong Synergy in the Interfacial Water Response of Binary Ionic and Nonionic Surfactant Mixtures. The Journal of Physical Chemistry Letters. 11391-11397 |
| Schönfeldová T, Dupertuis N, Chen Y, et al. (2022) Charge Gradients around Dendritic Voids Cause Nanoscale Inhomogeneities in Liquid Water. The Journal of Physical Chemistry Letters. 7462-7468 |
| Offei-Danso A, Hassanali A, Rodriguez A. (2022) High-Dimensional Fluctuations in Liquid Water: Combining Chemical Intuition with Unsupervised Learning. Journal of Chemical Theory and Computation. 18: 3136-3150 |