Research Articles
Kendall Houk: The Molecular Magician Who Computers Chemistry
Explore the groundbreaking work of Kendall N. Houk in computational chemistry, from enzyme design to reaction mechanisms that transformed chemical research.
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.
From Alchemy to AI: The Predictive Revolution Transforming Computational Chemistry
Explore how computational chemistry is shifting from prescriptive formulas to AI-powered predictive models, revolutionizing drug discovery and materials science.
Beyond the Lab Bench: How Computational Chemistry is Revolutionizing Science
Explore how computational chemistry is transforming scientific discovery through computer simulations, quantum methods, and machine learning applications.
When Molecules Meet Machines: The Revolutionary Science of Computational Chemistry at EUCO 2019
Explore the fascinating world of computational theoretical chemistry and the groundbreaking research presented at the EUCO 2019 conference in Perugia, Italy.
Digital Alchemists: How Computational Software is Revolutionizing Drug Discovery
Explore how computational software is transforming medicinal chemistry, accelerating drug discovery through virtual screening, AI, and molecular modeling.
Clouds Over the Lab: How Global Computing Power is Revolutionizing Chemistry
Exploring how quantum chemistry, molecular dynamics, and drug docking applications leverage the EGI distributed computing infrastructure to accelerate chemical discoveries.