A New Approach to Simulating Strongly Correlated Systems with Quantum Computing
A new approach broadens the reach of quantum computers to previously challenging systems.
Enriching Science Education with Thin Films
Tiffany Kaspar’s work has advanced the discovery and understanding of oxide materials, helping develop electronics, quantum computing, and energy production. She strives to communicate her science to the public.
Quieting Noise by Compressing Quantum Circuits
New research shows that compressing quantum circuits decreases noise and increases the accuracy of quantum calculations.
When Materials Discovery Glitters
Researchers created the first open-source database of exotic materials eyed for use in quantum applications.
Intermolecular and Support Interactions Influence the Properties of Polyoxometalates for Electrochemical Separations and Molecular Qubits
A combined experimental and theoretical study identified multiple interactions that affect the performance of redox-active metal oxides for potential electrochemical separation and quantum computing applications.
Insights Through Atomic Simulation
Special issue highlights PNNL contributions to NWChem and CP2K, two prominent software packages for computational chemistry.
Increasing the Accuracy of Quantum Algorithms
PNNL researchers utilized the Peeters-Devreese-Soldatov formulation to improve the accuracy of calculations for quantum chemistry.
Reviewing A Hybrid Computing Approach for Quantum Chemistry
A hybrid computing approach for solving quantum chemical problems offers a practical bridge between classical and quantum computing.
Polaritonic Chemistry with the Density Matrix Renormalization Group Method
Pacific Northwest National Laboratory researchers developed a new theoretical method for studying highly correlated systems.
Computational Chemistry Needs To Be Sustainable, Too
As new paradigms in advanced computing take shape, computational chemistry researchers are finding new ways to solve challenging chemistry problems.