Full program description
Computational chemistry is transforming how scientists and engineers study nuclear materials, radiochemistry, medical isotopes, and advanced energy systems. This three-day workshop introduces practical computational chemistry methods through lectures, guided demonstrations, and hands-on exercises using ORCA and Amsterdam Modeling Suite (AMS) to model and interpret nuclear-relevant chemical systems.
Designed for participants with a science or engineering background, the workshop focuses on practical application over theory. Learners will develop foundational skills in molecular modelling, density functional theory (DFT), spectroscopy, and computational best practices while learning to prepare and interpret molecular calculations, analyze computational results, and apply these techniques to nuclear-focused case studies involving actinides, lanthanides, radiochemistry, isotopes, and molten salts.
This workshop is delivered in person over three days, from August 12–14, providing participants with hands-on instruction, guided demonstrations, and collaborative learning opportunities. Virtual attendance is also available for those unable to attend on campus. Please visit the program webpage for full details, including delivery options, schedule, and registration information.