Seminars

Amanda Morgenstern, Ph.D. Abstract Natural enzymes speed up biochemical reactions from weeks or even years to seconds. On the other hand, artificially designed enzymes are generally far less efficient. It has been suggested that efficiency could be improved through incorporation of the specific electric field that a full protein creates...

Nikki Farnsworth, Ph.D. Abstract Currently, 1.25 million people in the United States have type 1 diabetes (T1D), where the prevalence of T1D has increased by ~21% in the last decade. T1D is characterized by the progressive destruction of the insulin producing β-cells in the pancreatic islets of Langerhans. This leads...

Liliya Vugmeyster, Ph.D Abstract NMR spectroscopy has evolved as a versatile tool in investigations of properties of different materials, and biomolecules. The field also provides opportunities for theoretical and technological developments of the techniques. Using selected studies from my research group, I will demonstrate multiple applications of NMR relaxation in...

Farhad Pourkamali Anaraki Abstract Neural network regression models often provide only point estimates, offering no insight into the confidence associated with their predictions. This tutorial-style talk introduces modern approaches for estimating predictive uncertainty in neural networks, beginning with model-free methods such as quantile regression and progressing to probabilistic neural networks...

Demian Riccardi, Ph.D. Abstract NMR spectroscopy experiments show that the shielding of 19F nuclei depends on temperature, pressure, and concentration for aqueous alkali fluoride solutions. We use multiscale modeling to quantify the role of ion-solvent and ion-ion interactions in observed resonance frequency shifts. Molecular dynamics simulations with polarizable forcefields are...