Research Articles
Simulating Life: How GPU Acceleration Is Unlocking the Secrets of Cellular Materials
Explore how GPU acceleration is revolutionizing the simulation of cellular materials, enabling breakthroughs in medicine, biology, and materials science.
The Invisible Lever: How Temperature Directs Molecular Drama in Your Computer
Explore how temperature specification in molecular dynamics simulations impacts scientific validity and enables breakthroughs in drug discovery and materials science.
When Hydrogen Makes Metals Brittle: An Atomic-Level Mystery
Exploring how hydrogen embrittlement compromises metals at the atomic level and the computational methods used to study this phenomenon.
GPU Acceleration is Unleashing a New Era in Quantum Molecular Dynamics
Explore how GPU-accelerated quantum molecular dynamics is revolutionizing electron-force-field models for drug discovery and materials science.
The Invisible Dance of Polymer Solutions: Modeling Nature's Trickiest Fluids
Explore the fascinating world of polymer solutions, their unique properties, modeling challenges, and real-world applications in this comprehensive scientific overview.
The Invisible Dance of Life: How Biomolecular Simulations Unlock Nature's Secrets
Explore how biomolecular simulations reveal the atomic-level mechanisms of life, from protein folding to drug discovery and enzyme catalysis.
Digital Double: Your Body in the Machine - How Computer Models are Unlocking the Secrets of Life
Explore how biological modelling, simulation, and verification are revolutionizing medicine and drug discovery through digital replicas of biological systems.
The Invisible Universe: Celebrating 50 Years of Molecular Dynamics
Explore the 50-year journey of molecular dynamics, a revolutionary computational tool that reveals atomic-scale processes in biology, chemistry, and materials science.
Unlocking Nature's Secrets: How FPGAs Supercharge Molecular Discovery
Explore how FPGA-accelerated molecular dynamics simulations are revolutionizing drug discovery and materials science through specialized hardware acceleration.
The Invisible Dance of H₂O: Exploring Water Through Virtual Worlds
Discover how virtual environments and molecular simulations are revolutionizing our understanding of water's molecular behavior for science education and research.