Ali A Hassanali (Ali Hassanali, A Hassanali)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 33

Top Topics

Molecular Dynamics

Top Venues

Nature communications

The journal of physical chemistry letters

The journal of physical chemistry. B

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Saranya Pullanchery, S Kulik, T Schönfeldová, C K Egan, Giuseppe Cassone, Ali A Hassanali, Sylvie Roke
pH drives electron density fluctuations that enhance electric field-induced liquid flow. Nature communications 15 (1) (2024)
Gonzalo Díaz Mirón, Carlos R Lien-Medrano, Debarshi Banerjee, Uriel N Morzan, Michael A Sentef, Ralph Gebauer, Ali A Hassanali
Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method. Journal of chemical theory and computation 20 (9) (2024)
Cesare Malosso, Natalia Manko, Maria Grazia Izzo, Stefano Baroni, Ali A Hassanali
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations. Proceedings of the National Academy of Sciences of the United States of America 121 (32) (2024)
Edward Danquah Donkor, Adu Offei-Danso, Alex Rodriguez, Francesco Sciortino, Ali A Hassanali
Beyond Local Structures in Critical Supercooled Water through Unsupervised Learning. The journal of physical chemistry letters 15 (15) (2024)
Gonzalo Díaz Mirón, Carlos R Lien-Medrano, Debarshi Banerjee, Uriel N Morzan, Michael A Sentef, Ralph Gebauer, Ali A Hassanali
Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method. Journal of chemical theory and computation (2024)
Cesare Malosso, Natalia Manko, Maria Grazia Izzo, Stefano Baroni, Ali A Hassanali
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations. Proceedings of the National Academy of Sciences of the United States of America 121 (32) (2024)
Cesare Malosso, Natalia Manko, Maria Grazia Izzo, Stefano Baroni, Ali A Hassanali
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations. Proceedings of the National Academy of Sciences of the United States of America 121 (32) (2024)
Saranya Pullanchery, S Kulik, T Schönfeldová, C K Egan, Giuseppe Cassone, Ali A Hassanali, Sylvie Roke
pH drives electron density fluctuations that enhance electric field-induced liquid flow. Nature communications 15 (1) (2024)
Saranya Pullanchery, S Kulik, T Schönfeldová, C K Egan, Giuseppe Cassone, Ali A Hassanali, Sylvie Roke
pH drives electron density fluctuations that enhance electric field-induced liquid flow. Nature communications 15 (1) (2024)
Edward Danquah Donkor, Adu Offei-Danso, Alex Rodriguez, Francesco Sciortino, Ali A Hassanali
Beyond Local Structures in Critical Supercooled Water through Unsupervised Learning. The journal of physical chemistry letters (2024)
Unmesh Mondal, Ivan Girotto, Ali A Hassanali, Prasenjit Ghosh
Effect of Quantum Delocalization on Temperature Dependent Double Proton Transfer in Molecular Crystals of Terephthalic Acid. The journal of physical chemistry. B (2023)
Mattia Perrone, Riccardo Capelli, Charly Empereur-Mot, Ali A Hassanali, Giovanni M Pavan
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 (12) (2023)
Giulia Sormani, Aruna Korde, Alex Rodriguez, Melissa Denecke, Ali A Hassanali
Zirconium Coordination Chemistry and Its Role in Optimizing Hydroxymate Chelation: Insights from Molecular Dynamics. ACS omega 8 (39) (2023)
Gonzalo Díaz Mirón, Jonathan A Semelak, Luca Grisanti, Alex Rodriguez, Irene Conti, Martina Stella, Jayaramakrishnan Velusamy, Nicola Seriani, Nadja Došlić, Ivan Rivalta, Marco Garavelli, Dario Ariel Estrin, Gabriele S Kaminski Schierle, Mariano C González Lebrero, Ali A Hassanali, Uriel N Morzan
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter. Nature communications 14 (1) (2023)
Adu Offei-Danso, Uriel N Morzan, Alex Rodriguez, Ali A Hassanali, Asja Jelic
The collective burst mechanism of angular jumps in liquid water. Nature communications 14 (1) (2023)
Adu Offei-Danso, Uriel N Morzan, Alex Rodriguez, Ali A Hassanali, Asja Jelic
The collective burst mechanism of angular jumps in liquid water. Nature communications 14 (1) (2023)
Khatereh Azizi, Matteo Gori, Uriel N Morzan, Ali A Hassanali, Philip Kurian
Examining the origins of observed terahertz modes from an optically pumped atomistic model protein in aqueous solution. PNAS nexus 2 (8) (2023)
Mattia Perrone, Riccardo Capelli, Charly Empereur-Mot, Ali A Hassanali, Giovanni M Pavan
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 (12) (2023)
Khatereh Azizi, Alessandro Laio, Ali A Hassanali
Solvation thermodynamics from cavity shapes of amino acids. PNAS nexus 2 (8) (2023)
Adu Offei-Danso, Uriel N Morzan, Alex Rodriguez, Ali A Hassanali, Asja Jelic
The collective burst mechanism of angular jumps in liquid water. Nature communications 14 (1) (2023)
Solana Di Pino, Edward Danquah Donkor, Veronica M Sánchez, Alex Rodriguez, Giuseppe Cassone, Damian A Scherlis, Ali A Hassanali
ZundEig: The Structure of the Proton in Liquid Water from Unsupervised Learning. The journal of physical chemistry. B (2023)
Edward Danquah Donkor, Alessandro Laio, Ali A Hassanali
Do Machine-Learning Atomic Descriptors and Order Parameters Tell the Same Story? The Case of Liquid Water. Journal of chemical theory and computation (2023)
Adu Offei-Danso, Ali A Hassanali, Alex Rodriguez
High-Dimensional Fluctuations in Liquid Water: Combining Chemical Intuition with Unsupervised Learning. Journal of chemical theory and computation 18 (5) (2022)
Heydar Hamzi, Ali Rajabpour, Édgar Roldán, Ali A Hassanali
Learning the Hydrophobic, Hydrophilic, and Aromatic Character of Amino Acids from Thermal Relaxation and Interfacial Thermal Conductance. The journal of physical chemistry. B 126 (3) (2022)
Tereza Schönfeldová, Nathan Dupertuis, Yixing Chen, Narjes Ansari, Emiliano Poli, David M Wilkins, Ali A Hassanali, Sylvie Roke
Charge Gradients around Dendritic Voids Cause Nanoscale Inhomogeneities in Liquid Water. The journal of physical chemistry letters 13 (32) (2022)
Sanghamitra Sengupta, Rahul Gera, Colin Egan, Uriel N Morzan, Jan Versluis, Ali A Hassanali, Huib J Bakker
Observation of Strong Synergy in the Interfacial Water Response of Binary Ionic and Nonionic Surfactant Mixtures. The journal of physical chemistry letters (2022)
Chyi Wei Chung, Amberley D Stephens, Tasuku Konno, Edward Ward, Edward Avezov, Clemens F Kaminski, Ali A Hassanali, Gabriele S Kaminski Schierle
Intracellular Aβ42 Aggregation Leads to Cellular Thermogenesis. Journal of the American Chemical Society 144 (22) (2022)
Uriel N Morzan, Gonzalo Díaz Mirón, Luca Grisanti, Mariano C González Lebrero, Gabriele S Kaminski Schierle, Ali A Hassanali
Non-Aromatic Fluorescence in Biological Matter: The Exception or the Rule? The journal of physical chemistry. B 126 (38) (2022)
Saranya Pullanchery, Sergey Kulik, Benjamin Rehl, Ali A Hassanali, Sylvie Roke
Charge transfer across C-H⋅⋅⋅O hydrogen bonds stabilizes oil droplets in water. Science (New York, N.Y.) 374 (6573) (2021)
Khatereh Azizi, Alessandro Laio, Ali A Hassanali
Model Folded Hydrophobic Polymers Reside in Highly Branched Voids. The journal of physical chemistry letters 13 (1) (2021)
Matthew D Hanson, Janel A Readnour, Ali A Hassanali, Steven A Corcelli
Coupled Local-Mode Approach for the Calculation of Vibrational Spectra: Application to Protonated Water Clusters. The journal of physical chemistry letters 12 (38) (2021)
Rahul Gera, Huib J Bakker, Ricardo Franklin-Mergarejo, Uriel N Morzan, Gabriele Falciani, Luca Bergamasco, Jan Versluis, Indraneel Sen, Silvia Dante, Eliodoro Chiavazzo, Ali A Hassanali
Emergence of Electric Fields at the Water-C12E6 Surfactant Interface. Journal of the American Chemical Society 143 (37) (2021)
Giovanni Vladilo, Ali A Hassanali
Hydrogen Bonds and Life in the Universe. Life (Basel, Switzerland) 8 (1) (2018)