Research & Publications

Explore groundbreaking studies and catalyst discoveries in modern catalysis science

Research Articles

The Invisible World That Builds Our Future: A Journey into Multiscale Modeling

Explore how first-principles based multiscale, multiparadigm methods are revolutionizing material science and chemical engineering through computational simulation.

Mia Campbell
Oct 15, 2025

The Invisible Engine: How Computer Simulations Power Our Chemical World

Explore how Density Functional Theory (DFT) revolutionizes catalyst design and drives innovation in chemical processes through computational simulations.

Allison Howard
Oct 10, 2025

DeMon2k: The Digital Alchemist Transforming Molecular Simulations

Explore how deMon2k computational chemistry software revolutionizes molecular simulations using DFT, ADFT and QM/MM methodologies

Samantha Morgan
Oct 01, 2025

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