| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 905 | 2021 |
| Principles of designing extra-large pore openings and cages in zeolitic imidazolate frameworks J Yang, YB Zhang, Q Liu, CA Trickett, E Gutiérrez-Puebla, MÁ Monge, ... Journal of the American Chemical Society 139 (18), 6448-6455, 2017 | 231 | 2017 |
| Development of an advanced force field for water using variational energy decomposition analysis AK Das, L Urban, I Leven, M Loipersberger, A Aldossary, M Head-Gordon, ... Journal of chemical theory and computation 15 (9), 5001-5013, 2019 | 68 | 2019 |
| Oxidation State Localized Orbitals: A Method for Assigning Oxidation States Using Optimally Fragment-Localized Orbitals and a Fragment Orbital Localization Index M Gimferrer*, A Aldossary*, P Salvador, M Head-Gordon Journal of Chemical Theory and Computation, 2021 | 38 | 2021 |
| In silico chemical experiments in the Age of AI: From quantum chemistry to machine learning and back A Aldossary, JA Campos‐Gonzalez‐Angulo, S Pablo‐García, SX Leong, ... Advanced Materials, 2402369, 2024 | 15 | 2024 |
| Chemical bonding and the role of node-induced electron confinement AJ Sterling, DS Levine, A Aldossary, M Head-Gordon Journal of the American Chemical Society 146 (14), 9532-9543, 2024 | 8 | 2024 |
| Force Decomposition Analysis: A method to decompose intermolecular forces into physically relevant component contributions A Aldossary, M Gimferrer, Y Mao, H Hao, AK Das, P Salvador, ... The Journal of Physical Chemistry A 127 (7), 1760-1774, 2023 | 8 | 2023 |
| Local Second-Order Møller–Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment Z Wang, A Aldossary, T Shi, Y Liu, XS Li, M Head-Gordon Journal of Chemical Theory and Computation 19 (21), 7577-7591, 2023 | 7 | 2023 |
| Sparsity of the Electron Repulsion Integral Tensor Using Different Localized Virtual Orbital Representations in Local Second Order Møller-Plesset Theory Z Wang*, A Aldossary*, M Head-Gordon | 7 | 2022 |
| Non-iterative method for constructing valence antibonding molecular orbitals and a molecule-adapted minimum basis A Aldossary, M Head-Gordon The Journal of Chemical Physics 157 (9), 2022 | 7 | 2022 |
| Faster algorithmic quantum and classical simulations by corrected product formulas M Bagherimehrab, DW Berry, P Schleich, A Aldossary, JA Angulo, ... arXiv preprint arXiv:2409.08265, 2024 | 3 | 2024 |
| Local Second Order Mo̷ller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation T Shi, Z Wang, A Aldossary, Y Liu, XS Li, M Head-Gordon Journal of Chemical Theory and Computation 20 (18), 8010-8023, 2024 | 2 | 2024 |
| Chemically motivated simulation problems are efficiently solvable by a quantum computer P Schleich, LB Kristensen, JA Angulo, D Avagliano, M Bagherimehrab, ... arXiv preprint arXiv:2401.09268, 2024 | 2 | 2024 |
| Uncoupled fragment electric-field response functions: An accelerated model for the polarization energy in energy decomposition analysis of intermolecular interactions A Aldossary, H Shen, Z Wang, M Head-Gordon Chemical Physics Letters 862, 141825, 2025 | 1 | 2025 |
| Spiers Memorial Lecture: How to do impactful research in artificial intelligence for chemistry and materials science AH Cheng, CT Ser, M Skreta, A Guzmán-Cordero, L Thiede, A Burger, ... Faraday Discussions 256, 10-60, 2025 | 1 | 2025 |
| Microwave-Assisted Synthesis and Chemical Modulation of MOF-74 (Ni) AN Aldossary | 1 | 2015 |
| Second-Generation Energy Decomposition Analysis of Intermolecular Interaction Energies from the Second-Order Mo̷ller–Plesset Theory: An Extensible, Orthogonal Formulation with … Z Wang, K Ikeda, H Shen, M Loipersberger, A Zech, A Aldossary, ... Journal of Chemical Theory and Computation, 2025 | | 2025 |
| How to do impactful research in artificial intelligence for chemistry and materials science A Cheng, C Tian Ser, M Skreta, A Guzmán-Cordero, L Thiede, A Burger, ... arXiv e-prints, arXiv: 2409.10304, 2024 | | 2024 |
| Molecular Orbitals and Where to Find Them AN Aldossary University of California, Berkeley, 2022 | | 2022 |
| Assignment of Oxidation States from Optimally Fragment-Localized Or-bitals. M Gimferrer, A Aldossary, M Head-Gordon, P Salvador 9TH YOUNG SCIENTIFIC WORKSHOP ON THEORETICAL CHEMISTRY AND COMPUTATIONAL …, 0 | | |
Martin HEAD-GORDONKenneth S. Pitzer Distinguished Professor, University of California, BerkeleyПодтвержден адрес электронной почты в домене cchem.berkeley.edu