Molecular Dynamics Research Hub

Explore breakthrough studies, simulation methodologies, and computational approaches in molecular science

Research Articles

How a Single Molecular Tweak Pushes Photosynthesis Into the Far-Red

Discover how a single chlorophyll pigment substitution at ChlD1 enables photosynthesis to operate beyond the natural red-light limit using far-red light.

Isabella Reed
Nov 15, 2025

Seeing the Invisible: How Pulsed Dipolar Hyperfine Spectroscopy Reveals Molecular Architecture

Explore how pulsed dipolar hyperfine spectroscopy revolutionizes molecular distance measurements from angstroms to nanometers, revealing the invisible architecture of biological systems.

Lucy Sanders
Nov 15, 2025

AI and the Microbiome: How a Simple Blood Test is Revolutionizing Cancer Detection

Exploring how AI-driven liquid biopsies and microbiome analysis are transforming early cancer detection through multi-omics integration.

Noah Brooks
Nov 15, 2025

Decoding Cancer's Future: The Research Frontiers Transforming Oncology

Explore the cutting-edge research frontiers transforming oncology, from immune technologies to molecular imaging and cellular therapies.

Aurora Long
Nov 15, 2025

The Hidden Power of Bendable Materials: How Flexoelectricity is Revolutionizing Technology

Explore how flexoelectricity, the ability of materials to generate electricity when bent, is transforming technology through advanced computational modeling and material engineering.

Noah Brooks
Nov 15, 2025

When Molecules Meet Quantum Mechanics: A Century-Long Dance

Exploring the complex but fruitful relationship between molecular chemistry and quantum mechanics, celebrating the International Year of Quantum Science and Technology 2025.

Sofia Henderson
Nov 15, 2025

The Invisible Dance: How Computer Simulations Reveal Boron's Secrets in Extreme Environments

Explore how molecular dynamics simulations and neural network potentials are revolutionizing our understanding of boron and boron oxide surface sputtering in fusion reactors and semiconductor technology.

Hudson Flores
Nov 15, 2025

Beyond the Crystal Ball: Teaching AI to Know What It Doesn't Know

Exploring how uncertainty quantification in machine learning is revolutionizing polymer property prediction and accelerating materials discovery.

Owen Rogers
Nov 15, 2025

How a Simple Molecule Stops Corrosion in Its Tracks

Discover how 2-(4-methoxyphenyl)-benzothiazole achieves 97.8% corrosion inhibition efficiency through advanced experimental design and computational modeling.

Carter Jenkins
Nov 15, 2025

Unlocking Liquid Metals' Secrets: How Cross-Correlation Reveals Atomic Patterns

Discover how cross-correlation analysis combined with molecular dynamics simulations is revealing the hidden atomic patterns in liquid metals, enabling breakthroughs in reconfigurable electronics and advanced materials.

Penelope Butler
Nov 15, 2025

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