Molecular Dynamics Research Hub

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

Research Articles

Beyond the Blizzard of Atoms: The Quest to Simulate Our Material World

Explore how scientists are using multiscale modeling to understand complex materials without tracking every single atom.

Joshua Mitchell
Oct 20, 2025

When Computers Became Chemists: The Rise of Computational Chemistry

Explore how computational chemistry has transformed from a supporting role to leading drug discovery, materials science, and chemical research through virtual experiments.

Sofia Henderson
Oct 20, 2025

Finding Answers in the Dark: Caves as Models in Ecology Fifty Years After Poulson and White

Exploring how caves serve as natural laboratories for ecological research, revealing insights into evolution, adaptation, and conservation.

Robert West
Oct 20, 2025

When a Perfect Theory Falls Short: The Curious Case of Vibrating Hydrogen on Copper

Exploring the quantum mystery of why the Born-Oppenheimer static surface model fails to predict hydrogen vibrational excitation on copper surfaces.

Gabriel Morgan
Oct 20, 2025

The Hidden Energy in Metals: How Radiation Damage Stores Wigner Energy in Copper

Explore how radiation damage creates Wigner energy storage in elemental copper through defect formation and annealing processes.

Thomas Carter
Oct 20, 2025

Cracking Cancer's Code: How Esophageal Tumors Evolve to Resist Treatment

Explore how esophageal squamous cell carcinoma evolves resistance to therapy through genomic and epigenomic changes, and what this means for future treatments.

Scarlett Patterson
Oct 20, 2025

Catching Light in Action: The Quantum Dance of Molecules

Discover how quantum computers are revolutionizing our understanding of ultrafast photochemical processes that occur in femtoseconds.

Benjamin Bennett
Oct 20, 2025

The Cell's Master Oarsmen: How a Tiny Molecular Tail Guides the Assembly of Microscopic Motors

Discover how the C-terminal tails of tubulin proteins guide the assembly of flagellar microtubule doublets, revealing new insights into cellular machinery construction.

Levi James
Oct 20, 2025

Beyond Silicon: The Unconventional World of Molecular Computation

Explore the revolutionary field of molecular computation where DNA strands and chemical reactions replace silicon chips for unprecedented computing power.

Allison Howard
Oct 19, 2025

Mapping the Molecular Dance: How Scientists Predict Surfactant Behavior on Nanoparticles

Explore how scientists predict surfactant adsorption isotherms at nanoparticle-water interfaces using free energy landscape mapping and advanced experimental techniques.

Joshua Mitchell
Oct 19, 2025

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