A new study demonstrates a hybrid model that can simulate part of a system at the molecular scale and other parts at larger scales in a computationally efficient manner, providing greater simulation flexibility.

New research investigating water-lean solvents for carbon dioxide capture identifies the unique chemistry possible with their use, may lead to new design principles that move beyond single carbon capture.

Long-range electron transfer reactions play important roles in many chemical and biochemical processes. A new study demonstrates that a common organic host molecule can behave like an alkali metal in long-range electron transfer reactions.

At the second Grid Resilience to Extreme Events Summit, a diverse range of experts gathered to tackle the biggest challenges in building a resilient grid.

PNNL publishes Port Electrification Handbook to aid the nation’s maritime and commercial ports during this energy transition.

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.

Twinned nanocrystals have unique physical and chemical properties, a variety of which are detailed by a new study. These findings can help guide future efforts in controlling twinning and detwinning in gold nanoparticles.

IDREAM scientists capture electronic response to ionization.

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.

Practical decontamination of industrial wastewater depends on energy-efficient separations. This study explored using ionic liquids as part of the process, enabling efficient electrochemical separation from aqueous solutions.

New research informs the development of foundational models for computational chemistry through hardware-software co-design.

Tennessee State University received Department of Energy funding to establish an academy focused on preparing students and professionals to work in an emerging field: clean energy systems. PNNL is helping with that effort and others.

PNNL advisors joined a panel of Washington State emergency management personnel to discuss how partnerships with national laboratories are enabling science and technology solutions.

Sequencing of microbiome and characterization of metabolome revealed significantly different functions of fine root systems from four temperate tree species in a 26-year-old common garden forest.

A set of papers combines surface science measurements on tiny particles with uncrewed aerial systems to better understand and model aerosols.

A new quantum algorithm speeds up simulations of coupled oscillator dynamics.

A new model accounts for co-occurring environmental parameters to improve predictions of a hurricane’s intensification.

Catalysts that efficiently transfer hydrogen for storage in organic hydrogen carriers are key for more sustainable generation and use of hydrogen. New research identifies activity descriptors that can accelerate novel catalyst development.

Data reveals mechanisms in our bodies that can help us fight viral pathogenesis.

IDREAM research shows the size of cations in highly concentrated nitrite solutions affects the production of radicals.