Don't miss this unique opportunity to learn from material science experts in this on demand replay.
Join us for an in-depth exploration of ONETEP, a groundbreaking code that revolutionizes Density Functional Theory (DFT) calculations available on Materials Studio. ONETEP delivers near-complete basis set accuracy while maintaining linear-scaling computational efficiency. By optimizing strictly localized orbitals within a basis set equivalent to plane waves, ONETEP harnesses the exponential localization of Wannier functions, enabling routine DFT calculations with thousands of atoms.
Large-scale DFT simulations are pivotal in capturing the intricate interactions among numerous atoms, particularly in complex interfaces and nanostructures. In this engaging webinar, we will provide a comprehensive overview of the ONETEP code, focusing on our latest developments, including: