
Dr. Matthew Hermes
Research Assistant Professor
Term of Engagement: 2018 ->
Research Areas
Electronic Structure, Quantum ComputingEducation
- 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
- 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