Research Articles
Decoding Nature's Blueprint: The Power of Density Functional Theory in TURBOMOLE
Explore how Density Functional Theory in TURBOMOLE revolutionizes computational chemistry and materials science through accurate quantum calculations.
The Quantum Compass: How Digital Simulations Guide Us to Sustainable Fuels and Chemicals
Explore how Density Functional Theory (DFT) accelerates sustainable energy research through quantum simulations of solar cells, batteries, and catalysts.
Bridging the Scales: How Density Functional Theory Powers Multiscale Materials Modeling
Explore how Density Functional Theory revolutionizes materials science through multiscale modeling, connecting quantum mechanics to real-world applications.
The Digital Alchemist: How Scientists Test the Invisible Rules of Molecules
Explore how computational chemists benchmark and test the Local Density Approximation (LDA) method to predict molecular behavior accurately.