Area of research
Atomic and Molecular Physics, and Optics · Condensed Matter Physics
Research interest
Research interests include Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Quantum many-body systems, and Physics of Superconductivity and Magnetism.
A 54.6 GHz Clock Transition in Ho<sup>3+</sup> Electron Spin Qubits Assembled into a Metal–Organic Framework
A 54.6 GHz Clock Transition in Ho3+ Electron Spin Qubits Assem-bled into a Metal-Organic Framework
Convergence Analysis of the Stochastic Resolution of Identity: Comparing Hutchinson to Hutch++ for the Second-Order Green’s Function
Recent developments in the P<scp>y</scp>SCF program package
The Ground State Electronic Energy of Benzene
The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations
Quantum Simulation of Electronic Structure with Linear Depth and Connectivity
P<scp>y</scp>SCF: the Python‐based simulations of chemistry framework
Gaussian-Based Coupled-Cluster Theory for the Ground-State and Band Structure of Solids
Gaussian and plane-wave mixed density fitting for periodic systems
Spectral functions of strongly correlated extended systems via an exact quantum embedding
Ab initio determination of the crystalline benzene lattice energy to sub-kilojoule/mole accuracy
Spectroscopic accuracy directly from quantum chemistry: Application to ground and excited states of beryllium dimer
The orbital-specific virtual local triples correction: OSV-L(T)
The orbital-specific-virtual local coupled cluster singles and doubles method
Truncated configuration interaction expansions as solvers for correlated quantum impurity models and dynamical mean-field theory
Optimizing large parameter sets in variational quantum Monte Carlo
Collaborative Research: Frameworks: Building the PySCF Software Infrastructure for Next-Generation Electronic Structure Simulations
Quantum Chemistry via General Tensor Networks
Collaborative Research: Frameworks: Scalable Modular Software and Methods for High-Accuracy Materials and Condensed Phase Chemistry Simulation
Enabling Quantum Leap: Quantum algorithms for quantum chemistry and materials
To the limits of the density matrix renormalization group in quantum chemistry, and beyond
Collaborative Research: SI2-SSI: Software Framework for Electronic Structure of Molecules and Solids
Collaborative Research: SI2-SSI: Software Framework for Electronic Structure of Molecules and Solids
Advanced quantum chemical methods for strong correlation and beyond
Advanced quantum chemical methods for strong correlation and beyond
Advanced quantum chemical methods for strong correlation and beyond
SI2-SSE: General Tensor Software Elements for Quantum Chemistry, Tensor Network Theories, and Beyond
SI2-SSE: General Tensor Software Elements for Quantum Chemistry, Tensor Network Theories, and Beyond
EAGER: Correlator product states for quantum chemistry and quantum Monte Carlo
CAREER: Accurate Quantum Chemical Methods for Excited States