Area of research
Atomic and Molecular Physics, and Optics · Materials Chemistry
Research interest
Research interests include Computer science, Interoperability, Python (programming language), Workflow, Software, and Open source.
Relativistic two-component double ionization potential equation-of-motion coupled cluster with the Dirac–Coulomb–Breit Hamiltonian
Two-component relativistic equation-of-motion coupled cluster for electron ionization
Automated Quantum Chemistry Code Generation with the <tt>p</tt><sup><tt>†</tt></sup><tt>q</tt> Package
Perspective on Many-Body Methods for Molecular Polaritonic Systems
Comparing perturbative and commutator-rank-based truncation schemes in unitary coupled-cluster theory
Static Electric Dipole Polarizability and Hyperpolarizability Tensors from Mean-Field Cavity Quantum Electrodynamics Approaches
Numerically exact configuration interaction at quadrillion-determinant scale
Fast Quantum Simulation of Electronic Structure by Spectral Amplification
The orientation dependence of cavity-modified chemistry
Variational determination of the two‐electron reduced density matrix: A tutorial review
Dirac–Coulomb–Breit Molecular Mean-Field Exact-Two-Component Relativistic Equation-of-Motion Coupled-Cluster Theory
Relativistic Coupled Cluster with Completely Renormalized and Perturbative Triples Corrections
<i>Ab initio</i> methods for polariton chemistry
Assessing the Effects of Orbital Relaxation and the Coherent-State Transformation in Quantum Electrodynamics Density Functional and Coupled-Cluster Theories
Fault-Tolerant Quantum Simulation of Materials Using Bloch Orbitals
Single Reference Treatment of Strongly Correlated H<sub>4</sub> and H<sub>10</sub> Isomers with Richardson–Gaudin States
Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory
Time-dependent equation-of-motion coupled-cluster simulations with a defective Hamiltonian
Approximate Exponential Integrators for Time-Dependent Equation-of-Motion Coupled Cluster Theory
<i>N</i>-representability violations in truncated equation-of-motion coupled-cluster methods
Fault-tolerant quantum simulation of materials using Bloch orbitals
Equation-of-motion cavity quantum electrodynamics coupled-cluster theory for electron attachment
Enhanced Diastereocontrol via Strong Light–Matter Interactions in an Optical Cavity
Design and Synthesis of Kekulè and Non-Kekulè Diradicaloids via the Radical Periannulation Strategy: The Power of Seven Clar’s Sextets
Reduced-density-matrix-based <i>ab initio</i> cavity quantum electrodynamics
Fast-forwarding quantum simulation with real-time quantum Krylov subspace algorithms
Challenges for Variational Reduced-Density-Matrix Theory: Total Angular Momentum Constraints
Cavity-modulated ionization potentials and electron affinities from quantum electrodynamics coupled-cluster theory
<tt>p</tt> † <tt>q</tt> : a tool for prototyping many-body methods for quantum chemistry
Challenges for variational reduced-density-matrix theory with three-particle <i>N</i>-representability conditions