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Physical Sciences Division

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Featured Stories

Woman in full PPE/clean room garb, grabbing samples at a bench
JUNE 2, 2025
Article

PNNL Partnership Produces Purest-Ever Tungsten

In the search for rare physics events, extremely pure materials are essential. A partnership between PNNL and Ultramet has led to tungsten with low contamination from other elements.
( Read More )
Image showing water film
JUNE 2, 2025
Research Highlight

Measuring Proton Diffusion in Supercooled Water

The first measurement of the proton diffusion constant at cryogenic temperatures provides insights into the mechanism of proton movement in supercooled water.
( Read More )
Illustration showing balls connected by squiggly lines
JUNE 2, 2025
Research Highlight

Neural Networks for Evaluating Effective Interactions

Neural networks techniques enable the efficient capture of electron correlation effects in reduced-dimensionality spaces.
( Read More )
Electron microscope image of NaYF nanostructures
JUNE 2, 2025
Research Highlight

Rougher Materials Get Along Better: Surface Roughness Influences Nanoparticle Attachment

Under an optical field, nanoparticle attachment in a model system heavily depends on surface roughness.
( Read More )
Image of the [4Fe-4S] cluster.
MAY 30, 2025
Research Highlight

Assessing the Properties That Enable Reduction Potential Tuning in Iron/Sulfur Clusters

Directionally biased electrostatic interactions are the key to significantly tuning the reduction potential of iron/sulfur clusters.
( Read More )
Sphere showing a tandem cracking process
MAY 23, 2025
Research Highlight

Identifying the Active Species that Catalyze Low-Temperature Polyolefin Upcycling

The low-temperature breakdown of polyolefins is driven by carbenium ions generated from chloroaluminate ionic liquids.
( Read More )
Illustration showing a graph-based representation of wave functions
MAY 23, 2025
Research Highlight

Unleashing Quantum Computing for Quantum Chemistry from Constrained Optimization

Developing a new scheme to more efficiently solve quantum chemistry problems.
( Read More )
two nanoparticles with arrows showing the repulsive force
MAY 20, 2025
Research Highlight

Ion Behavior Near Interfaces Affects Aggregation

Increasing concentrations of ions slows the rate of particle aggregation in boehmite suspensions.
( Read More )
photograph of columns used to separate critical materials
MAY 20, 2025
Research Highlight

Enabling Urban Mining of Critical Minerals from Domestic Electronic Waste

A PNNL team has developed an energy- and chemical-efficient method of separating valuable critical minerals from dissolved solutions of rare earth element magnets.
( Read More )
Jingshan Du
MAY 20, 2025
Staff Accomplishment

Jingshan Du Named CAS Future Leader

Jingshan Du, a postdoctoral scientist at PNNL whose research focuses on crystallization pathways of water and other materials, was named a 2025 CAS Future Leader.
( Read More )
An illustration showing light emissions from a laser plasma weld
MAY 20, 2025
Research Highlight

Using Plasma Color to Predict Weld Quality

The correlation between weld flash emissions and melt pool composition can provide near real-time feedback on weld quality.
( Read More )
Close up of hematite nanocrystal with labels of iron species
MAY 13, 2025
Research Highlight

Crystal Morphology Controls Redox-Catalyzed Mass Transfer at Mineral–Water Interfaces

The structure and exposed surfaces of hematite particles affect their growth and dissolution.
( Read More )
Photograph of a manganese-containing nodule
MAY 8, 2025
Research Highlight

Selectively Recovering Manganese from Surface Accessible Nodules

Surface manganese mining from nodules in South Dakota is now possible with a new scalable selective precipitation process.
( Read More )
Draguna Vrabie writing on a clear board
MAY 5, 2025
Director's Column

AI Driving Autonomous Research at PNNL for Discovery

PNNL's “co-scientist” serves as a one-stop AI shop for accelerating scientific discovery. By leveraging AI agents, researchers can explore scientific databases, conduct analyses and request step-by-step plans for testing their hypotheses.
( Read More )
Photo of Wendy Shaw wearing a bright pink button down and dark jacket
APRIL 28, 2025
News Release

PNNL’s Wendy Shaw Named Associate Lab Director, Physical and Computational Sciences

Chemist Wendy Shaw, a nationally recognized scientific leader, has been chosen to serve as the associate laboratory director for PNNL's Physical and Computational Sciences Directorate.
( Read More )
Screen grab of an animation showing the Picasso algorithm. On the left is a filtering mechanism sorting data into buckets; on the right is an illustrations of the connections between data points.
APRIL 23, 2025
News Release

Scientists Speed Up the Groundwork Essential for Quantum Computing

Researchers have created an algorithm that slashes the calculations necessary to prepare and customize data for quantum computing.
( Read More )
Photograph of an MBE, showing the sample stage. A researcher's face is also visible.
APRIL 2, 2025
Feature

Moving to Autonomous Experimentation: Growing Thin Films with Machine Learning

Machine learning and autonomous experimentation are poised to revolutionize how scientists grow very thin films on surfaces, important for technologies like microelectronics and quantum computing.
( Read More )
Zheming Wang
MARCH 27, 2025
News Release

PNNL Scientist Elected AAAS Fellow

Chemist Zheming Wang is the newest AAAS Fellow, joining the ranks of astronaut Mae Jemison, and Steven Chu, 1997 Nobel laureate in physics who served as the 12th U.S. Secretary of Energy.
( Read More )
Wendy Shaw and Court Corley talking on stage
MARCH 18, 2025
Feature

Researchers Put Frontier AI Models Through Paces to See What Sticks at AI Jam

Nine national laboratories, including PNNL, bring together over 1,000 scientists for a day to use AI to accelerate scientific discovery.
( Read More )
Headshot of Karl Mueller in front of a simulated cloud environment
JANUARY 17, 2025
Article

Democratizing Computational Chemistry with the Cloud

PNNL Program Development Office Director Karl Mueller explains how the TEC4 project seeks to make advanced chemical computations accessible to all.
( Read More )
A cloud image that also includes molecules and test tubes
JANUARY 14, 2025
Research Highlight

Porting Scalable Computational Chemistry to Cloud Computing

Electronic structure codes in a cloud environment can enable efficient computational chemistry simulations.
( Read More )
Atomic resolution image showing the structure of an oxide thin film
JANUARY 14, 2025
Research Highlight

Unraveling Doping Effects on the Structure and Electronic Properties of Perovskite Oxides

Chromium cations better adapt to changes in oxygen stoichiometry than iron cations.
( Read More )
Kevin Rosso
JANUARY 13, 2025
News Release

Geochemist Kevin Rosso Appointed a Battelle Fellow

Geochemist Kevin Rosso earns the highest scientific and leadership honor bestowed by PNNL.
( Read More )
Soil organic matter forms hydrophobic fractions that sorb to soil mineral surfaces.
JANUARY 10, 2025
Research Highlight

Mineral Surfaces Stabilize Organic Matter through Patchy Multilayer Coatings

Molecular simulations highlight the key interactions between mineral surfaces and organic matter that lead to carbon stabilization in soils.
( Read More )
Electron microscope image of a carbonate mineral
JANUARY 9, 2025
Research Highlight

Cobalt Slows the Low-Water Carbonation of Silicate Mineral Ores

Cobalt substitution for magnesium in a model mafic mineral dramatically slows reaction with carbon dioxide to form a cobalt-doped carbonate.
( Read More )
a glowing microelectronic computer chip
DECEMBER 23, 2024
News Release

Microelectronics Science Research Centers to Lead Charge on Next-Generation Designs and Prototypes

A new generation of microelectronics research begins at PNNL.
( Read More )
Image showing the structure of lanthanum nickel oxide layered atop lanthanum iron oxide
DECEMBER 18, 2024
Research Highlight

Unraveling Charge Transfer at Oxide Heterointerfaces

Using interfacial charge transfer to control cation charges in oxide superlattices offers insights for designing functional heterostructures.
( Read More )
This scientific illustration shows red, white, and gray particles connected in rectangular clusters on a blue background representing liquid.
DECEMBER 12, 2024
Research Highlight

Molecular-Level Understanding of How Electrolytes Affect Boehmite Particle Aggregation

New IDREAM research explores the effects of electrolyte species on boehmite nanoparticle aggregation in legacy wastes.
( Read More )
Kalinin and Zhang
DECEMBER 16, 2024
Staff Accomplishment

Kalinin and Zhang Named 2024 National Academy of Inventors Fellows

Sergei Kalinin, a joint appointee at the University of Tennessee, Knoxville and PNNL, and Ji-Guang (Jason) Zhang, a PNNL Lab Fellow, are part of the 2024 class of National Academy of Inventors Fellows.
( Read More )
Illustration of a flow-based separations system
DECEMBER 5, 2024
Research Highlight

A Streamlined Process to Extract Magnesium from Seawater

Precipitation with sodium hydroxide in a flow-gel device enables the rapid extraction of magnesium from seawater in a new scalable process.
( Read More )
Schematic showing the formation of calcium carbonate
DECEMBER 5, 2024
Research Highlight

Crystallization of Calcium Carbonate Via a Dense Liquid Phase

Calcium carbonate mineralization occurs through a multi-step process that begins with a dense liquid phase.
( Read More )
Jingshan Du
NOVEMBER 20, 2024
Staff Accomplishment

Du Wins Early Career Award from AVS Division

Postdoctoral scientist Jingshan Du received the Nanoscale Science and Technology Division Early Career Award from AVS.
( Read More )
Ying Xia headshot
NOVEMBER 14, 2024
Staff Accomplishment

Xia Finalist for MRS Graduate Student Award

Graduate student Ying Xia has been selected as a Graduate Student Award Finalist for the 2024 Materials Research Society Fall Meeting.
( Read More )
A computer chip linked to a protein
NOVEMBER 7, 2024
Article

Longtime PNNL Collaborator Received Nobel Prize

University of Washington Professor David Baker won the 2024 Nobel Prize in Chemistry for computational protein design.
( Read More )
Johannes Lercher
OCTOBER 31, 2024
Staff Accomplishment

Lercher Named Foreign Member of the Spanish Royal Academy of Sciences

Battelle Fellow Johannes Lercher was elected a Foreign Academician by the Royal Academy of Exact, Physical, and Natural Sciences of Spain for his contributions to chemical science.
( Read More )
Illustration showing electron microscopy of a material
OCTOBER 30, 2024
Article

Using Electron Microscopy to Understand Quantum Behavior

A newly funded project will develop the fundamental understanding of phenomena that underpin material properties important for quantum applications.
( Read More )
illustration showing peptoids disrupting water on the surface of a material
OCTOBER 29, 2024
Research Highlight

Peptoid-Induced Acceleration of Carbonate Mineralization

Research identifies the mechanisms through which peptoids affect ions in solution and a mineral surface, increasing the rate of carbonate crystal growth.
( Read More )
Composite image featuring headshots of Sergei Kalinin, Mitra Taheri, Henry Sprueill, and Yangang Liang.
OCTOBER 28, 2024
Article

Accelerating Materials Discovery with AI

Pacific Northwest National Laboratory scientists discussed their materials research at Accelerate’24.
( Read More )
Mitra Taheri
OCTOBER 21, 2024
Staff Accomplishment

Designing the Future of Materials with Artificial Intelligence

Joint Appointee Mitra Taheri spoke on the AI in Government episode of the EY Leading into Tomorrow podcast.
( Read More )
Sergei Kalinin
OCTOBER 16, 2024
Staff Accomplishment

Kalinin Selected for APS David Adler Lectureship Award

Sergei Kalinin honored with the David Adler Lectureship Award for contributions to materials physics through automated experimentation and ferroelectric materials work.
( Read More )
Image showing two different configurations of a single-atom catalyst
OCTOBER 9, 2024
Research Highlight

Reactant-Induced Activation of Single-Atom Rhodium Catalysts

A switchable single-atom catalyst is activated in the presence of surface intermediates and reverts to its stable inactive form when the reaction is completed.
( Read More )
Illustration showing a combination of different representations of a chemical reaction inside zeolite pores
SEPTEMBER 26, 2024
Research Highlight

Confined Ionic Environments in Zeolite Micropores Enhance Catalytic Activity

Increasing the concentration of ions in zeolite micropores leads to a significant increase in the rate of acid catalyzed reactions.
( Read More )
Image of molecules
SEPTEMBER 24, 2024
Research Highlight

Observing the Mechanism of Protonation Site Switching in Hydrated Nicotine

Proton shuffling in hydrated nicotine at low temperatures occurs via a Grotthuss mechanism, identified through experimental and computational work.
( Read More )
Composite image of Jingshan Du and Shuai Zhang
SEPTEMBER 24, 2024
Staff Accomplishment

Du and Zhang Co-Edit MRS Advances Special Issue

Two PNNL materials scientists were involved in co-editing an issue of MRS Advances focused on crystallization and assembly at interfaces.
( Read More )
Illustration showing multiple sets of test tubes, an NMR, and computer screen plotting data
SEPTEMBER 24, 2024
Feature

AI-Guided Experiments Speed Scientific Discovery

Artificial intelligence, high-throughput experimentation, and materials science expertise combine to efficiently develop next-generation energy storage materials.
( Read More )
Kevin Rosso
SEPTEMBER 18, 2024
Staff Accomplishment

Kevin Rosso Named American Geophysical Union Fellow

Geochemist Kevin Rosso named an American Geophysical Union fellow in recognition of his work leading the field of molecular geochemistry.
( Read More )
An illustration of how ultra-thin layers on silk can be deposited on a graphene surface.
SEPTEMBER 18, 2024
News Release

Flexible Circuits Made with Silk and Graphene on the Horizon

Ultra-thin layers of silk deposited on graphene in perfect alignment represent a key advance for the control needed in microelectronics and advanced neural network development.
( Read More )
Technical illustration showing rhodium catalyst hydrogenating ethylene and converting it to ethane
SEPTEMBER 3, 2024
Research Highlight

Hydrogen Spillover Regulates Catalysis

Electronic modifications from hydrogen spillover onto the oxide support increase the activity of single-atom rhodium catalysts.
( Read More )
Photograph of a Wei Wang reaching into a fume hood
SEPTEMBER 3, 2024
Feature

Long-Duration Energy Storage Can’t Wait

Long-duration energy storage gets the spotlight in a new Energy Storage Research Alliance featuring PNNL innovations, like a molecular digital twin and advanced instrumentation.
( Read More )
Two scientists at a glovebox, working
SEPTEMBER 4, 2024
Feature

Tackling One of the Most Extreme Environments on Earth: Nuclear Waste

New funding spurs a new approach to researching the effective retrieval and processing of legacy radioactive waste. Four-year focus of the IDREAM EFRC will link attosecond timescales to decades-long chemical processes.
( Read More )
Eric Bylaska
SEPTEMBER 4, 2024
Staff Accomplishment

Bylaska Selected for Computational Materials Science Award

Bylaska and team will aim to make computational design of functional materials more targeted, impactful, and user friendly through this award.
( Read More )
Illustration of a computer chip with different catalysts around it
AUGUST 22, 2024
Article

Novel Computing Tool Learns the Language of Chemistry

ChemReasoner combines decades of chemistry knowledge with large language models to propose strategies for effective new catalysts.
( Read More )
Rocks on a cliffside
AUGUST 13, 2024
Research Highlight

Simulations Identify How Critical Elements Distribute in Abundant Mineral Ores

The atomic-level distribution of nickel and cobalt in forsterite depends on the concentration of the different elements.
( Read More )
Jim De Yoreo
AUGUST 6, 2024
Staff Accomplishment

De Yoreo Elected Vice-Chair of National Academy of Engineering Materials Section

Jim De Yoreo, a Battelle fellow and materials scientist, was elected vice-chair of the National Academy of Engineering’s Materials Section.
( Read More )
Photograph of Daniel Mejia Rodriguez standing near a powerful computer.
JULY 23, 2024
News Release

PNNL Scientists Tap Nation’s Fastest Computers to Explore Critical Science Questions

Researchers will explore climate, pathogens and energy-efficient microelectronics using 3 million node hours on the nation’s supercomputers.
( Read More )
Image showing two series of the oriented attachment process
JULY 23, 2024
Research Highlight

Understanding the Forces that Regulate Crystallization by Particle Attachment

Fully identifying what controls nanocrystal assembly requires incorporating non-traditional forces into models.
( Read More )
Illustration of molecules moving underneath Earth's surface under an electric field
JULY 19, 2024
Article

Gaining Insights into How Mineral Surfaces Respond to Electric Fields

To improve our ability to “see” into the subsurface, scientists need to understand how different mineral surfaces respond to electrical signals at the molecular scale.
( Read More )
Jingshan Du
JULY 18, 2024
Staff Accomplishment

Du Selected for Lindau Spirit Fellowship

Jingshan Du, a Washington Research Foundation Postdoctoral Fellow, attended a Lindau Nobel Laureate meeting as one of only five young researchers awarded a Lindau Spirit Fellowship.
( Read More )
Illustration showing two stacks of materials with different levels of chemical functionalization
JULY 15, 2024
Research Highlight

Surface Oxygen Functionality Controls the Selective Transport of Metal Ions through Graphene Oxide Membranes

The surface oxygen functionality of graphene oxide may be tuned using ultraviolet light, affecting how differently charged ions move through the material.
( Read More )
Tungsten heavy alloys
JULY 12, 2024
Research Highlight

Characterizing Tungsten-Based Materials in a Simulated Fusion Environment

Researchers studied the boundary precipitation of tungsten heavy alloys in an extended high temperature irradiation environment
( Read More )
Graphic illustration of components of chloride upcycling method
JULY 8, 2024
Research Highlight

The Key Role of Hydride Transfer in Chloride Catalyzed Upcycling of Polyethylene

Recycling polyolefin materials is challenging. One waste management strategy is plastic upcycling. New work demonstrates a single-step upcycling route coupling cracking and alkylation, recycling carbon and keeping valuable resources active.
( Read More )
Illustration of patterned nanoribbons with carbonate mineralization in progress
JUNE 26, 2024
Staff Accomplishment

PNNL Scientists Receive a Best Paper Award from International Association for Dental Research Group

The International Association for Dental Research Mineralized Tissue Group awarded PNNL scientists and their collaborators a Best Paper recognition for research published in Nano Letters.
( Read More )
Close-up photo of mica specimen
JUNE 24, 2024
Research Highlight

Influence of Peptoid Sequence on the Mechanisms and Kinetics of 2D Assembly

A new study examines the effect of peptoid sequences on the mechanisms and kinetics of their two-dimensional assembly on mica surfaces and how molecular interactions alter assembly kinetics.
( Read More )
A metal mechanical device experiencing extreme heat and flame
JUNE 12, 2024
News Release

Metal Alloys that Can Take the Heat

Complex metal alloys enter a new era of predictive design for aerospace and other high-temperature applications.
( Read More )
Graphic illustration of ion densities and charge potentials of molecules
JUNE 3, 2024
Research Highlight

Developing New Computational Methods for Atomic-to-Mesoscale Chemistry

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.
( Read More )
View News Archive

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