CV

Education

• Ph.D. in Chemical Engineering, University of Colorado - Boulder, 2023
  • Advisor: Charles B. Musgrave
• M.S. in Chemical Engineering, University of Colorado - Boulder, 2018
• B.S. in Chemical Engineering, University of Colorado - Boulder, 2016

Work experience

• 2023 - Present: Assistant Professor
  • Kuwait University, Chemical Engineering Department
  • Duties included: Teaching courses, conducting research, and serving on departmental committees.
• 2018 - 2023: Kuwait University Fellowship Recipient
  • University of Colorado - Boulder
  • Duties included: Conducting Ph.D. research in computational chemistry and materials science.

Skills

• Computational Chemistry
  • Density Functional Theory (DFT)
  • Microkinetic Modeling
  • Quantum Chemical Methods
• Programming & Software
  • Python
  • MATLAB
  • Gaussian
  • ORCA
  • JDFTx
  • Quantum Espresso
  • VASP
  • COMSOL

Publications

Molecular Property Prediction via Sparse Binary Matrix Representation and Convolutional Neural Networks

Alherz, A. W., Tezak, C. R., & Alhajeri, M. S. (2026). "Molecular Property Prediction via Sparse Binary Matrix Representation and Convolutional Neural Networks." Industrial & Engineering Chemistry Research.

Temperature-Driven Nickel Phosphide Phase Transformation and Its Impact on Furfural Hydrogenation Catalysis

Tyagi, A., Alherz, A. W., Alayyoub, B. A., Shah, S., Thakur, S., Sharma, A., Sinha, A. K., & Dhiman, M. (2026). "Temperature-Driven Nickel Phosphide Phase Transformation and Its Impact on Furfural Hydrogenation Catalysis." European Journal of Inorganic Chemistry.

Electronic Properties of Metal-/Nitrogen-Doped Graphene Single Atom Catalysts from First Principles

Alherz, A. W., & Alsunni, Y. A. (2026). "Electronic Properties of Metal-/Nitrogen-Doped Graphene Single Atom Catalysts from First Principles." Energy & Fuels, 40(6), 3309-3320.

Δ-Learning of High-Fidelity Electronic Structure Using Graph Neural Networks with Modified Node-Level Features

Karimitari, N., Pakornchote, T., Alherz, A. W., Clary, J. M., Tezak, C., Dey, S., et al. (2025). "Δ-Learning of High-Fidelity Electronic Structure Using Graph Neural Networks with Modified Node-Level Features." ACS Materials Letters.

Evaluation of Surface and Bulk Properties of Alkali Halides: A First-Principles Study on (100) and (110) Facets

Alherz, A. W., & Alayyoub, B. A. (2025). "Evaluation of Surface and Bulk Properties of Alkali Halides: A First-Principles Study on (100) and (110) Facets." ACS Omega.

Quinone-annulated imidazolium salts as dual electrolyte-sorbents for electrochemical capture of carbon dioxide

Petersen, H. A., Koltunski, H. J., Pham, P. H., Brink, Q. M., Ley, A., Lee, J., Wright, O. M., et al. (2025). "Quinone-annulated imidazolium salts as dual electrolyte-sorbents for electrochemical capture of carbon dioxide." Journal of Materials Chemistry A.

Prediction of Potential-Dependent Kinetics for the Electrocatalytic Reduction of CO2 to CO over Ti@4N-Gr

Alsunni, Y. A., Alherz, A. W., & Musgrave, C. B. (2024). "Prediction of Potential-Dependent Kinetics for the Electrocatalytic Reduction of CO2 to CO over Ti@4N-Gr." ACS Electrochemistry.

BEAST DB: Grand-canonical database of electrocatalyst properties

Tezak, C., Clary, J., Gerits, S., Quinton, J., Rich, B., Singstock, N., Alherz, A., et al. (2024). "BEAST DB: Grand-canonical database of electrocatalyst properties." The Journal of Physical Chemistry C.

Revised nitrogen reduction scaling relations from potential-dependent modeling of chemical and electrochemical steps

Tezak, C. R., Singstock, N. R., Alherz, A. W., Vigil-Fowler, D., Sutton, C. A., et al. (2023). "Revised nitrogen reduction scaling relations from potential-dependent modeling of chemical and electrochemical steps." ACS Catalysis.

Predictive energetic tuning of C-Nucleophiles for the electrochemical capture of carbon dioxide

Petersen, H. A., Alherz, A. W., Stinson, T. A., Huntzinger, C. G., Musgrave, C. B., et al. (2022). "Predictive energetic tuning of C-Nucleophiles for the electrochemical capture of carbon dioxide." iScience.

Predictive energetic tuning of quinoid O-nucleophiles for the electrochemical capture of carbon dioxide

Alherz, A. W., Petersen, H. A., Singstock, N. R., Sur, S. N., Musgrave, C. B., & Luca, O. R. (2022). "Predictive energetic tuning of quinoid O-nucleophiles for the electrochemical capture of carbon dioxide." Energy Advances.

Electrochemical CO2 Reduction over Metal-/Nitrogen-Doped Graphene Single-Atom Catalysts Modeled Using the Grand-Canonical Density Functional Theory

Brimley, P., Almajed, H., Alsunni, Y., Alherz, A. W., Bare, Z. J. L., Smith, W. A., et al. (2022). "Electrochemical CO2 Reduction over Metal-/Nitrogen-Doped Graphene Single-Atom Catalysts Modeled Using the Grand-Canonical Density Functional Theory." ACS Catalysis.

Diazaphospholenes as reducing agents: a thermodynamic and electrochemical DFT study

Alkhater, M. F., Alherz, A. W., & Musgrave, C. B. (2021). "Diazaphospholenes as reducing agents: a thermodynamic and electrochemical DFT study." Physical Chemistry Chemical Physics.

Kinetics of Hydride Transfer from Catalytic Metal-Free Hydride Donors to CO2

Weerasooriya, R. B., Gesiorski, J. L., Alherz, A., Ilic, S., Hargenrader, G. N., et al. (2021). "Kinetics of Hydride Transfer from Catalytic Metal-Free Hydride Donors to CO2." The Journal of Physical Chemistry Letters.

Electrocatalytic Reduction of CO2 to CO over Ag(110) and Cu(211) Modeled by Grand-Canonical Density Functional Theory

Alsunni, Y. A., Alherz, A. W., & Musgrave, C. B. (2021). "Electrocatalytic Reduction of CO2 to CO over Ag(110) and Cu(211) Modeled by Grand-Canonical Density Functional Theory." The Journal of Physical Chemistry C.

Surface Hydrides on Fe2P Electrocatalyst Reduce CO2 at Low Overpotential: Steering Selectivity to Ethylene Glycol

Calvinho, K. U. D., Alherz, A. W., Yap, K. M. K., Laursen, A. B., Hwang, S., Bare, Z. J. L., et al. (2021). "Surface Hydrides on Fe2P Electrocatalyst Reduce CO2 at Low Overpotential: Steering Selectivity to Ethylene Glycol." Journal of the American Chemical Society.

Metalloradical intermediates in electrocatalytic reduction of CO2 to CO: Mn versus Re bis-N-heterocyclic carbene pincers

Myren, T. H. T., Alherz, A., Stinson, T. A., Huntzinger, C. G., Lama, B., Musgrave, C. B., et al. (2020). "Metalloradical intermediates in electrocatalytic reduction of CO2 to CO: Mn versus Re bis-N-heterocyclic carbene pincers." Dalton Transactions.

Mn-Based Molecular Catalysts for the Electrocatalytic Disproportionation of CO2 into CO and CO32–

Myren, T. H. T., Alherz, A., Thurston, J. R., Stinson, T. A., Huntzinger, C. G., et al. (2020). "Mn-Based Molecular Catalysts for the Electrocatalytic Disproportionation of CO2 into CO and CO32–." ACS Catalysis.

Importance of proton-coupled electron transfer in cathodic regeneration of organic hydrides

Ilic, S., Alherz, A., Musgrave, C. B., & Glusac, K. D. (2019). "Importance of proton-coupled electron transfer in cathodic regeneration of organic hydrides." Chemical Communications.

Predicting hydride donor strength via quantum chemical calculations of hydride transfer activation free energy

Alherz, A., Lim, C. H., Hynes, J. T., & Musgrave, C. B. (2018). "Predicting hydride donor strength via quantum chemical calculations of hydride transfer activation free energy." The Journal of Physical Chemistry B.

Renewable Hydride Donors for the Catalytic Reduction of CO2: A Thermodynamic and Kinetic Study

Alherz, A., Lim, C. H., Kuo, Y. C., Lehman, P., Cha, J., Hynes, J. T., & Musgrave, C. B. (2018). "Renewable Hydride Donors for the Catalytic Reduction of CO2: A Thermodynamic and Kinetic Study." The Journal of Physical Chemistry B.

Benzimidazoles as Metal-Free and Recyclable Hydrides for CO2 Reduction to Formate

Lim, C. H., Ilic, S., Alherz, A., Worrell, B. T., Bacon, S. S., Hynes, J. T., Glusac, K. D., et al. (2018). "Benzimidazoles as Metal-Free and Recyclable Hydrides for CO2 Reduction to Formate." Journal of the American Chemical Society.

Thermodynamic and kinetic hydricities of metal-free hydrides

Ilic, S., Alherz, A., Musgrave, C. B., & Glusac, K. D. (2018). "Thermodynamic and kinetic hydricities of metal-free hydrides." Chemical Society Reviews.

Talks

SBMR Model for HOMO and LUMO Energy Predictions

November 12, 2025

Talk at American Chemical Society - International Conference, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia

Introduction to Natural Gas Processing & Downstream Operations

August 11, 2025

Talk at Sabah Alahmad Center for Giftedness & Creativity: College Preparation Program, Kuwait University, Kuwait

Teaching

Mathematical Methods in Chemical Engineering (CHE-353)

Mass Transfer Operations (CHE-440)

Chemical Engineering Thermodynamics (CHE-321)

Applied Numerical Methods and Programming for Engineers (ENG-307)

Service and Leadership

• Professional Society Memberships
  • American Institute of Chemical Engineers (AIChE), 2014-Present
  • American Chemical Society (ACS), 2023-Present
• Departmental Service (Kuwait University)
  • Department IT Coordinator, 2024-Present
  • Scheduling Committee, 2024-Present
  • Professional Society & Training Committee, 2023-Present
  • Teaching Area Group 1 (TAG-1): Chemical Processes, 2023-Present
  • Annual Report Committee, 2023-2024
• Community Outreach
  • Gas Processing Training Program: Optimization of Gas Processing Units, May 2024 & Nov 2024
  • Sabah Alahmad Center for Giftedness & Creativity: College Preparation Program, August 2025