Molecular Dynamics Research Hub

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

Research Articles

When Catalysts Compute: The Emergent Logic of Chemical Reactions

Exploring how catalysts can be harnessed to perform computations through emergent chemical reactions, bridging chemistry and computer science.

Camila Jenkins
Oct 04, 2025

Molecular Crystals on the Move: From Single-Crystal-to-Single-Crystal Photoreactions to Molecular Machinery

Explore how dynamic molecular crystals transform light into mechanical work through photomechanical processes and single-crystal-to-single-crystal transformations.

Sophia Barnes
Oct 04, 2025

Unlocking the Body's Whisper Network: The Secret Language of Hormones

Discover how hormones communicate with cells through receptors and second messengers in this engaging exploration of endocrine signaling.

Liam Carter
Oct 04, 2025

The Hidden Dance of Proteins: How Award-Winning Research is Revealing Nature's Microscopic Machinery

Explore the groundbreaking research of Yu-ming Huang and Abhay Thakur, winners of Protein Science best paper awards, and their discoveries about enzyme metabolons and protein folding.

Aurora Long
Oct 03, 2025

The Great Divide: How Molecules Partition Between Open Spaces and Nano-Worlds

Explore the fascinating science of how molecules distribute themselves between bulk spaces and nanoscale confined environments, with implications for energy extraction, drug delivery, and advanced materials.

Zoe Hayes
Oct 03, 2025

The Surface Science of Lithium Hydride and Uranium

Exploring the atomic-scale surface interactions of lithium hydride and uranium that power energy storage and environmental remediation technologies.

Abigail Russell
Oct 03, 2025

The Invisible Fault Lines: How Single Atoms Can Make or Break a Metal

Explore how molecular dynamics simulations reveal how single atoms at grain boundaries dramatically affect metal strength and durability.

Jacob Howard
Oct 03, 2025

The Invisible Edge: How Tool Shape Dictates the Nano-World of Manufacturing

Explore how tool geometry influences nanometric cutting processes and enables ultra-precision manufacturing at atomic scales.

Joseph James
Oct 03, 2025

The Molecular Dance: Catching Chemistry in the Act

Explore how scientists capture the split-second steps of chemical reactions using advanced techniques like crossed molecular beams and femtosecond lasers.

Kennedy Cole
Oct 03, 2025

Bridging Scales: How Hybrid Simulations Reveal Water's Hidden Dynamics

Explore how adaptive resolution simulations combine atomistic and coarse-grained models to study water's complex behavior across multiple scales.

Madelyn Parker
Oct 03, 2025

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