Yes to exploring periodic trends and crystal field splits using #compchem! Always proud of Dr. Metz’s ongoing work to make connections to theoretical chemistry in their @HawkeyeCollege classroom. This work also engaged our collaboration with @SustainableN…
RT @UIchemSEM: Our paper on systematic Hubbard U values for modeling materials with DFT. With @SustainableNano collaborator Qiang Cui. Firs…
Our paper on systematic Hubbard U values for modeling materials with DFT. With @SustainableNano collaborator Qiang Cui. First paper for second year student Blake Hudson and @HawkeyeCollege instructor/Ph.D. candidate, Irene K. Metz. #compchem https://t.…