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I’m Laust Rask Welcome to my personal website!

THIS SITE IS A WORK IN PROGRESS

I am a Master’s Graduate in Nanoscience from the University of Copenhagen, currently working in the Kurt V. Mikkelsen group.
My research focuses on electron transfer through molecular junctions and QM/MM simulations. Currently we are looking into doing QM/XTB simulations of electron transfer processes.

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Research Interests

• Quantum master equations (Liouville-von Neumann, Redfield, Lindblad)
• Electron transfer in nanoscale systems
• QM/MM and electrostatics in molecular junctions
• Density Functional Theory (DFT) and beyond
• Coupled Cluster methods
• Cluster Perturbation Theory

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Featured Projects

• Quantum Master Equation Toolbox – Python workflows for simulating open quantum systems
• Dalton Automation Scripts – Bash & Python scripts for HPC workflows
• Molecular Junction Transport Analysis – QM/MM + Fock matrix reconstruction bridge

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Learn more about me.