Chromium cations better adapt to changes in oxygen stoichiometry than iron cations.

CACTUS provides AI-powered cheminformatics for autonomous science.

PNNL’s Center for Cloud Computing is addressing challenges in data management and hybrid cloud solutions with industry and academic partnerships.

EZBattery Model allows energy storage researchers to more quickly and easily identify the best performing battery designs without the need for extensive physical prototyping or computationally expensive simulations.

Using interfacial charge transfer to control cation charges in oxide superlattices offers insights for designing functional heterostructures.

Calcium carbonate mineralization occurs through a multi-step process that begins with a dense liquid phase.

PNNL researchers work with industry partners to transform large language models.

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.

A newly funded project will develop the fundamental understanding of phenomena that underpin material properties important for quantum applications.

In a recent publication in Nature Communications, a team of researchers presents a mathematical theory to address the challenge of barren plateaus in quantum machine learning.

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.

Fully identifying what controls nanocrystal assembly requires incorporating non-traditional forces into models.

A new approach validates quantum algorithms for low-energy nuclear physics applications

PNNL shared recent developments in artificial intelligence at the inaugural Special Competitive Studies Project AI for National Competitiveness Expo.

Research at PNNL and the University of Texas at El Paso are addressing computational challenges of thinking beyond the list and developing bioagent-agnostic signatures to assess threats.

PNNL computing experts Robert Rallo and Court Corley contribute their knowledge to a recent DOE report on applications of AI to energy, materials, and the power grid.

In a new approach, quantum flow algorithms are used to simulate many-body systems on quantum computers and effectively describe chemical processes.

Combining X-ray-based techniques allows researchers to locate and characterize small concentrations of electrons in complex semiconductor films.

Elias Nakouzi brings 3D atomic force microcopy expertise to a project focused on understanding how hybrid bio-based nanomaterials assemble.

PNNL researchers comment on the “Adversarial Machine Learning” white paper from the National Institute of Standards and Technology.