Blog Archives

Density Matrix Embedding Pair-Density Functional Theory for Molecules

Automated Multireference Vertical Excitations for Transition-Metal Compounds

Electronically Tunable Low-Valent Uranium Metallacarboranes

High-Pressure Effects on an Octa-Hydrated Curium Complex: An Experimental and Theoretical Investigation

Strongly Correlated States of Transition Metal Spin Defects: The Case of an Iron Impurity in Aluminum Nitride

Non-unitary Variational Quantum Eigensolver with the Localized Active Space Method and Cost Mitigation

Role of Electron Correlation Beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation

A Fluorescent-Protein Spin Qubit

Carbon Dioxide Capture from Open Air Using Covalent Organic Frameworks

Fragment-Based Initialization for Quantum Subspace Methods