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Potential Energy Surface (PES) Basics → Practical Workflow for Transition State Searches
This graduate-level path teaches the computational methods used to locate transition states on potential energy surfaces, from foundational concepts in PES and stationary points to advanced techniques like NEB, string methods, and IRC. Learners will gain both theoretical understanding and practical knowledge of algorithms for saddle point search and reaction path characterization.
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13 steps · 3 stages. Click any step to inspect it and see it on the Path Map.
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