Dr. Matthew Hermes

Education

• B.A. Macalester College (2009)
• Ph.D. University of Illinois at Urbana-Champaign (2015)

Professional Experience

• Postdoctoral scholar, Rice University, Houston TX, 2016-2018; Postdoctoral scholar, University of Minnesota, Minneapolis, 2018-2020

Publications

• Modeling Oxidative Dehydrogenation of Propane with Supported Vanadia Catalysts Using Multireference Methods
• Density Matrix Embedding Pair-Density Functional Theory for Molecules
• The Localized Active Space Method with Unitary Selective Coupled Cluster
• Bridging the Gap Between Molecules and Materials in Quantum Chemistry with Localized Active Spaces
• Distinguishing Homolytic vs Heterolytic Bond Dissociation of Phenylsulfonium Cations with Localized Active Space Methods
• Core Binding Energy Calculations: A Scalable Approach with the Quantum Embedding-Based Equation-of-Motion Coupled-Cluster Method
• Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
• Analytic Nuclear Gradients for Complete Active Space Linearized Pair-Density Functional Theory
• Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory
• Quantum-Centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions
• Understanding Antiferromagnetic and Ligand Field Effects on Spin Crossover in a Triple-Decker Dimeric Cr(II) Complex
• Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding
• Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory
• State Preparation in Quantum Algorithms for Fragment-Based Quantum Chemistry
• The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
• Linearized Pair-Density Functional Theory
• Local Excitations of a Charged Nitrogen Vacancy in Diamond with Multireference Density Matrix Embedding Theory
• Localized Active Space-State Interaction: a Multireference Method for Chemical Insight
• Large-Scale Benchmarking of Multireference Vertical-Excitation Calculations via Automated Active-Space Selection