Cutting-Edge Theoretical Studies

Dive into peer-reviewed articles on DFT simulations, reaction mechanisms, and ab initio calculations shaping modern chemical science.

Research Articles

Probing the Unseeable: How Neutron Summer School Fuels Scientific Discovery

Explore how neutron scattering techniques reveal atomic structures and drive scientific innovation through NIST's CHRNS Summer School.

Carter Jenkins
Oct 02, 2025

The Silver Key: How a Precious Metal Unlocks Chemical Reactions

Discover how silver functions as an oxidation catalyst through computational chemistry and ab initio atomistic thermodynamics

Andrew West
Oct 02, 2025

The Invisible Marvels: How Thin Films and Coatings Are Shaping Our Sustainable Future

Explore the fascinating world of thin films and coatings - from food preservation to sustainable technology solutions that are revolutionizing multiple industries.

Charlotte Hughes
Oct 02, 2025

Unlocking a Protein's Secret Life: The Power of a Giant Magnet

Discover how scientists use NMR spectroscopy and 20-mm sample tubes to observe carbon resonances in hen egg-white lysozyme, revolutionizing protein analysis.

Jeremiah Kelly
Oct 02, 2025

The Invisible Puzzle: How One Particle Can Have Three Different "Weights"

Explore the fascinating world of nanoparticle density and discover how scientists measure three different types of effective density to understand particle behavior.

Carter Jenkins
Oct 02, 2025

The Hidden Architecture of Everything: How a Material's Inner World Shapes Our Outer World

Explore the fascinating world of microstructure evolution in materials and how it shapes the properties of everything around us.

Christopher Bailey
Oct 02, 2025

The Hidden World in the Terahertz Gap: Seeing Molecules in a New Light

Exploring how terahertz radiation reveals molecular interactions in condensed phases and enables revolutionary technologies in medicine, computing, and materials science.

Camila Jenkins
Oct 02, 2025

When Fluids Dance to Electricity's Tune: The Story of Induced-Charge Electrokinetics

Explore the fascinating world of induced-charge electrokinetics (ICEK) where electric fields manipulate fluids at microscopic scales for medical and technological applications.

Victoria Phillips
Oct 01, 2025

The Silent Transformation: Modeling and Simulating Plutonium Aging

Explore the complex world of plutonium aging through advanced computer modeling and simulation techniques used to predict atomic-scale transformations in this radioactive element.

Aiden Kelly
Oct 01, 2025

How a Liver Enzyme Revolutionizes Alcohol Metabolism: The Polarity Switch

Discover how Cytochrome P450 2E1 adapts its ethanol oxidation mechanism based on environmental polarity, challenging traditional understanding of alcohol metabolism.

Emma Hayes
Oct 01, 2025

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