Abdulrahman Aldossary

King Abdulaziz City for Science and Technology — Saudi Arabia

Physics and Astronomy · Physical Sciences

10h-index1.8kcitations32works7.72yr avg
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Research Topics

Advanced Chemical Physics Studies(10), Machine Learning in Materials Science(10), Spectroscopy and Quantum Chemical Studies(7), Computational Drug Discovery Methods(6), Crystallography and molecular interactions(6)

Publications32 total

Chemically motivated simulation problems are efficiently solvable on a quantum computer
Digital Discovery·2025Open Access
Author response for "Chemically Motivated Simulation Problems are Efficiently Solvable by a Quantum Computer"
2025
Connecting the concepts of quantum state tomography and molecular representations for machine learning
2025Open Access
El Agente: An autonomous agent for quantum chemistry
Matter·2025· 21 citedOpen Access
Quantum Computing for Quantum Chemistry
ACS in focus·2025· 2 cited
Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Moller–Plesset Theory: An Extensible, Orthogonal Formulation with Useful Basis Set Convergence for All Terms
Journal of Chemical Theory and Computation·2025· 10 cited
Enhanced Photoelectrocatalytic Performance of ZnO Nanowires for Green Hydrogen Production and Organic Pollutant Degradation
Materials·2025· 6 citedOpen Access
El Agente: An Autonomous Agent for Quantum Chemistry
SSRN Electronic Journal·2025Open Access
Uncoupled fragment electric-field response functions: An accelerated model for the polarization energy in energy decomposition analysis of intermolecular interactions
Chemical Physics Letters·2024· 5 cited
Characterizing the interplay of 'σ-hole’ and ‘σ*' interactions in chalcogen bonding
2024· 1 citedOpen Access
Spiers Memorial Lecture: How to do impactful research in artificial intelligence for chemistry and materials science
Faraday Discussions·2024· 11 citedOpen Access
Faster Algorithmic Quantum and Classical Simulations by Corrected Product Formulas
arXiv (Cornell University)·2024· 2 citedOpen Access
Local Second Order Moller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation
Journal of Chemical Theory and Computation·2024· 5 cited
In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back
Advanced Materials·2024· 57 citedOpen Access
In silico chemical experiments in the Age of AI: From quantum chemistry to machine learning and back
2024· 1 cited
Chemical Bonding and the Role of Node-Induced Electron Confinement
Journal of the American Chemical Society·2024· 12 citedOpen Access
In silico chemical experiments in the Age of AI: From quantum chemistry to machine learning and back
2024· 2 citedOpen Access
Chemically Motivated Simulation Problems are Efficiently Solvable by a Quantum Computer
arXiv (Cornell University)·2024· 3 citedOpen Access
Local Second-Order Møller–Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment
Journal of Chemical Theory and Computation·2023· 13 cited
Chemical bonding and the role of node-induced electron confinement
2023· 1 citedOpen Access
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Frequent Co-authors

Martin Head‐Gordon(16), Alán Aspuru‐Guzik(12), Shi Xuan Leong(6), Davide Avagliano(6), Mohsen Bagherimehrab(6), Teresa Head‐Gordon(5), Jorge A. Campos-Gonzalez-Angulo(5), Gary Tom(5), Zhenling Wang(5), Philipp Schleich(5), Akshaya Kumar Das(4), Sergio Pablo‐García(4), Luca Thiede(4), Yuezhi Mao(3), Daniel S. Levine(3), Matthias Loipersberger(3), Ella Miray Rajaonson(3), Andrew Z. Wang(3), Martí Gimferrer(3), Pedro Salvador(3)