Ali Hassanali - Publications, H-index & Citations

Ali Hassanali

scuola internazionale superiore di studi avanzati

36H指数

200论文数

6.0K被引数

收录论文 61

发表时间

Good Practices for Simulation Studies Published in The Journal of Physical Chemistry B 《物理化学杂志B》中模拟研究的良好实践

The Journal of Physical Chemistry B

IF2.9

2026-06-18

OAAI

Christophe Chipot; Jiali Gao; Benoît Roux; Ali A. Hassanali; Barbara Kirchner; Joan-Emma Shea

Computational Sciences from Africa and the African Diaspora 非洲及非洲裔离散群体的计算科学

The Journal of Physical Chemistry C

IF3.2

2026-05-28

OAAI

Ali A Hassanali

Water-mediated reconfigurable topology and mechanics in porous peptide materials 水介导的重组拓扑结构和力学性能在多孔肽材料中

Matter

IF17.5

2026-03-11

PREAI

Vignesh Athiyarath; Elma Naranjo; Dhwanit Dave; Osman Goni Ridwan; Danilo A. Arturo Rodriguez; Qiang Zhu; Marta Monti; Gonzalo Díaz Mirón; Debarshi Banerjee; Ali Hassanali; Michelle C. Neary; Eric G. Keeler; Sheng Zhang; Rein V. Ulijn; Xi Chen

Simulating the Photochemical Birth of the Hydrated Electron in Liquid Water 模拟水合电子在液态水中的光化学诞生

Nature Communications

IF15.7

2026-03-10

OAAI

Gonzalo Díaz Mirón; Cesare Malosso; Solana Di Pino; Colin K. Egan; Diganta Dasgupta; Christopher J. Mundy; Ali Hassanali

Investigating the Role of pH and Counterions in the Intrinsic Fluorescence of Solid-State l-Lysine 研究pH和反离子在固态L-赖氨酸固有荧光中的作用

JOURNAL OF PHYSICAL CHEMISTRY B

IF2.9

2025-12-01

PREAI

Monti, Marta; Cimmino, Luca; Miron, Gonzalo Diaz; Diaferia, Carlo; Banerjee, Debarshi; Stella, Martina; Vitagliano, Luigi; Accardo, Antonella; Hassanali, Ali

Design of radionuclide separations based on MD simulations 基于分子动力学模拟的放射性核素分离设计

ANALYTICA CHIMICA ACTA

IF6

2025-06-01

PREAI

Giménez, I; Sormani, G; Rodríguez, A; Hassanali, A; Bagán, H; Tarancón, A

Computational investigation of uracil dimers in water and the role of classical potentials 水环境中尿嘧啶二聚体的计算研究及经典势能的作用

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IF2.9

2025-01-01

OAAI

Ostojic, Tea; Ovcar, Juraj; Hassanali, Ali; Grisanti, Luca

Non-adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-11-20

PREAI

Miron, Gonzalo Diaz; Lien-Medrano, Carlos R.; Banerjee, Debarshi; Monti, Marta; Aradi, Balint; Sentef, Michael A.; Niehaus, Thomas A.; Hassanali, Ali

Revisiting the Enhanced Chemical Reactivity in Water Microdroplets: The Case of a Diels-Alder Reaction 重新审视水滴中增强的化学反应性: diels-alder反应的情况

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2024-11-12

PREAI

Gong, Ke; Nandy, Abhijit; Song, Zhexuan; Li, Quan-Song; Hassanali, Ali; Cassone, Giuseppe; Banerjee, Shibdas; Xie, Jing

pH drives electron density fluctuations that enhance electric field-induced liquid flow

NATURE COMMUNICATIONS

IF15.7

2024-07-15

OAAI

Pullanchery, S.; Kulik, S.; Schonfeldova, T.; Egan, C. K.; Cassone, G.; Hassanali, A.; Roke, S.

Aqueous solution chemistry in silico and the role of data-driven approaches

CHEMICAL PHYSICS REVIEWS

IF6.2

2024-06-28

OAAI

Banerjee, Debarshi; Azizi, Khatereh; Egan, Colin K.; Donkor, Edward Danquah; Malosso, Cesare; Di Pino, Solana; Miron, Gonzalo Diaz; Stella, Martina; Sormani, Giulia; Hozana, Germaine Neza; Monti, Marta; Morzan, Uriel N.; Rodriguez, Alex; Cassone, Giuseppe; Jelic, Asja; Scherlis, Damian; Hassanali, Ali

Exploring the Mechanisms behind Non-aromatic Fluorescence with the Density Functional Tight Binding Method

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-04-18

OAAI

Miron, Gonzalo Diaz; Lien-Medrano, Carlos R.; Banerjee, Debarshi; Morzan, Uriel N.; Sentef, Michael A.; Gebauer, Ralph; Hassanali, Ali

The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter

NATURE COMMUNICATIONS

IF15.7

2023-11-13

OAAI

Miron, Gonzalo Diaz; Semelak, Jonathan A.; Grisanti, Luca; Rodriguez, Alex; Conti, Irene; Stella, Martina; Velusamy, Jayaramakrishnan; Seriani, Nicola; Doslic, Nadja; Rivalta, Ivan; Garavelli, Marco; Estrin, Dario A.; Schierle, Gabriele S. Kaminski; Lebrero, Mariano C. Gonzalez; Hassanali, Ali; Morzan, Uriel N.

Zirconium Coordination Chemistry and Its Role in Optimizing Hydroxymate Chelation: Insights from Molecular Dynamics

ACS OMEGA

IF4.3

2023-09-19

OAAI

Sormani, Giulia; Korde, Aruna; Rodriguez, Alex; Denecke, Melissa; Hassanali, Ali

Free energy decompositions illuminate synergistic effects in interfacial binding thermodynamics of mixed surfactant systems

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2023-09-08

OAAI

Egan, Colin K.; Hassanali, Ali