Diffusion Monte Carlo Study of the Structure and Spectroscopy of H3 O–

Highly accurate real-space electron densities with neural networks

Machine Learning Approaches for Developing Potential Surfaces: Applications to OH^-(H₂O)_n (n = 1-3) Complexes

Stabilizer ground states for simulating quantum many-body physics: theory, algorithms, and applications

Quantum approximate optimization via learning-based adaptive optimization

Toward Chemical Accuracy with Shallow Quantum Circuits: A Clifford-Based Hamiltonian Engineering Approach

TenCirChem: An Efficient Quantum Computational Chemistry Package for the NISQ Era

Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space

Fast Near Ab Initio Potential Energy Surfaces Using Machine Learning

Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning

Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression

Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states

A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules

Regression clustering for improved accuracy and training costs with molecular-orbital-based machine learning

Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis

Chemical Interactions of Polyethylene Glycols (PEGs) and Glycerol with Protein Functional Groups: Applications to Effects of PEG and Glycerol on Protein Processes

A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules

Article

Regression clustering for improved accuracy and training costs with molecular-orbital-based machine learning

Article

Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis

Article

Chemical Interactions of Polyethylene Glycols (PEGs) and Glycerol with Protein Functional Groups: Applications to Effects of PEG and Glycerol on Protein Processes

Article