High fidelity simulations enabled by high-performance computing will allow for unprecedented predictive power of molecular level processes that are not amenable to experimental measurement.
PNNL researchers demonstrated a simple method to create stable, identical nanoparticles of PdTe2-like composition, which is known to be superconducting, on a WTe2 TMD support.
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.
Gosline works to develop computational algorithms that are uniquely targeted for rare disease work by doing foundational research in model system development. This work can be expanded to all model systems in human disease.
Data-driven autonomous technology to rapidly design and deliver antiviral interventions targeting SARS-CoV-2 to reduce drug discovery timeline and advance bio preparedness capabilities.
A team of researchers developed a simulation approach to identify how atomic structures can affect the phonon transport of energy and information in quantum systems near absolute zero temperatures.