Charlotte Rickert
At the moment, I am pursuing a Master's degree in chemistry with a focus on computational and theoretical chemistry at the Humboldt-Universität zu Berlin (HU). Research is my passion: I enjoy developing low-scaling, high-level wavefunction-based methods such as Local or SVD Coupled Cluster for molecules and periodic systems. In this context, I have been actively doing research since 3.5 years at HU and am currently working as a student research assistant at the Max-Planck Institute for Solid State Research.
Session
Efficiently obtaining high-accuracy data for molecules and materials is one of the major challenges in quantum chemistry. We present ElemCo.jl, an efficient, user-friendly, modular, open-source Julia package for performing quantum-chemical calculations, including Hartree-Fock (HF) and post-HF methods, with a focus on Coupled Cluster theory. Particular emphasis will be placed on tensor-decomposed Distinguishable Cluster methods to treat extended systems at substantially reduced computational cost.