EDUCATION

University of California, Berkeley

Dec 2022

Ph.D. Chemistry

Thesis: Molecular Orbitals and Where to Find Them

Advisor: Prof. Martin Head-Gordon

Coursework: Artificial Intelligence, Quantum Information, Efficient Algorithms, Applied Mathematics: Electronic Structure, Advanced Quantum Mechanics, Statistical Mechanics & Chemical Kinetics

Oregon State University

June 2015

Honors B.S. Chemical Engineering

Focus: Microelectronics Processes and Materials Science

Capstone Project: Fabrication of Prototype Separations Equipment Using 3D Printing

Honors Thesis: Microwave-Assisted Synthesis and Chemical Modulation of MOF-74-Ni

Minor: Business and Entrepreneurship

PROFESSIONAL

Postdoctoral Fellow

Aug 2023 – Present

University of Toronto, Toronto, Canada

  • Leveraging machine learning and artificial intelligence to accelerate common quantum chemistry simulations

Postdoctoral Research Scientist

Jan 2023 – May 2023

Q-Chem Inc., Pleasanton, CA

  • Modernized a library (libloco) in the Q-Chem software package
  • Helped with supporting developers relevant to 5 research articles

Visiting Scholar

Jan 2016 – Mar 2017

Yaghi Lab, Berkeley, CA

  • Synthesized a novel metal-organic framework (MOF) material for gas separation applications
  • Designed, planned, and set up a new laboratory facility at KACST

PUBLICATIONS (*CO-AUTHOR)

  1. P. Schleich, L. B. Kristensen, D. Avagliano, M. Bagherimehrab, A. Aldossary, C. Gorgulla, J. Fitzsimons, A. Aspuru-Guzik, “Chemically Motivated Simulation Problems are Efficiently Solvable by a Quantum Computer” arXiv. DOI: 10.48550/arXiv.2401.09268

  2. A. J. Sterling, D. S. Levine, A. Aldossary, M. Head-Gordon, “Chemical bonding and the role of node-induced electron confinement” ChemRxiv. DOI: 10.26434/chemrxiv-2023-1lprg

  3. Z. Wang, A. Aldossary, T. Shi, Y. Liu, X. S. Li, M. Head-Gordon, “Local Second-Order Møller–Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: Theory, Implementation, and Assessment” J. Chem. Theory Comput., 19, 21, 7577-7591, 2023

  4. A. Aldossary, M. Gimferrer, Y. Mao, H. Hao, A. K. Das, P. Salvador, T. Head-Gordon, M. Head-Gordon, “Force Decomposition Analysis: A method to decompose intermolecular forces into physically relevant component contributions” J. Phys. Chem. A, 127, 7, 1760-1774, 2023

  5. Z. Wang*, A. Aldossary*, M. Head-Gordon, “Sparsity of the Electron Repulsion Integral Tensor Using Different Localized Virtual Orbital Representations in Local Second Order Møller-Plesset Theory” J. Chem. Phys., 158, 064105, 2023

  6. A. Aldossary, M. Head-Gordon, “Non-Iterative Method for Accurate Antibonding Orbitals” J. Chem. Phys., 157, 094102, 2022

  7. M. Gimferrer*, A. Aldossary*, P. Salvador, M. Head-Gordon, “Oxidation state localized orbitals: A method for assigning oxidation states using optimally fragment-localized orbitals and a fragment orbital localization index”, J. Chem. Theo. & Comp., 18, 309-322, 2021

  8. E. Epifanovsky et al. “Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package” J. Chem. Phys., 155, 084801, 2021

  9. A. K. Das, L. Urban, I. Leven, M. Loipersberger, A. Aldossary, M. Head-Gordon, T. Head-Gordon, “Development of an advanced force field for water using variational energy decomposition analysis” J. Chem. Theory Comput., 15, 5001−5013, 2019

  10. J. Yang, Y. Zhang, Q. Liu, C. A. Trickett, E. Gutierrez-Puebla, M. Á. Monge, H. Cong, A. Aldossary, H. Deng, O. M. Yaghi, “Principles of designing extra-large pore openings and cages in zeolitic imidazolate frameworks” J. Am. Chem. Soc., 139, 6448–6455, 2017

PRESENTATIONS

  1. A. Aldossary, “Molecular Orbitals and Where to Find Them”, Invited Talk at King Abdullah University of Science and Technology (KAUST) hosted by Prof. Luigi Cavallo, June 2023

  2. A. Aldossary, C. Mackie, M. Head-Gordon, “Uncoupled electric-field response functions and their applications” ACTC 2022 poster session

  3. A. Aldossary, M. Head-Gordon, “Non-Iterative Method for Accurate Antibonding Orbitals” MQM 2022 poster session

  4. A. Aldossary, M. Head-Gordon, “Non-Iterative Method for Accurate Antibonding Orbitals” ACS Spring 2022 poster session

  5. A. Aldossary, Y. Mao, M. Gimferrer, A. K. Das, P. Salvador, T. Head-Gordon, M. Head-Gordon “Force Decomposition Analysis”, Oral presentation at ACS Fall 2021 conference as well as an invited poster for Sci-Mix at the ACS Fall 2021 conference

  6. A. Aldossary, Y. Mao, M. Gimferrer, A. K. Das, P. Salvador, T. Head-Gordon, M. Head-Gordon “Force Decomposition Analysis to understand chemical reactivity”, Presentation at the IUPAC | CCCE 2021 virtual conference

  7. A. Aldossary, G. Albuquerque, G. Herman, “Microwave-Assisted Synthesis and Chemical Modulation of MOF-74-Ni” University Honors College Thesis Fair, Spring 2015.

TEACHING

Graduate Student Instructor

Aug 2017 – May 2020

University of California, Berkeley

  • Chem1AL, Fall 2017: Taught 60 students general chemistry laboratory and held weekly office hours
  • Chem 120A, Spring 2019 & Spring 2020: Taught 150 chemistry students quantum mechanics and held weekly office hours

AWARDS & ACTIVITIES

Postdoctoral Fellowship Award

July 2023 – July 2026

KAUST Ibn Rushd Postdoctoral Fellowship, Thuwal, Saudi Arabia

Awarded $300,000 over 3 years to conduct research

Mentor

Fall 2021

Transfer Student Mentorship Program, Berkeley, CA

Mentored two transfer students to find research positions in the Chemistry department

Course Material Reviewer

Fall 2020

Molecular Science and Software Engineering Master’s program, Berkeley, CA

Reviewed materials and gave feedback for a new 4-unit graduate course at UC Berkeley

Event coordinator & graduate ambassador

Fall 2019 - Spring 2022

Saudi Arabian Association at Berkeley, Berkeley, CA

Organized events to include the Saudi community within UC Berkeley and ensure their inclusivity

Capstone Project "Board Choice" Award

Spring 2015

CBEE Industry Advisory Board, Corvallis, OR

Founding Member and President

Spring 2013-Spring 2015

Materials Research Society - OSU Chapter, Corvallis, OR