Examples of Computing in PUI Research and Education

Research

Proposal Title	Summary
RUI: Computational Study of Vibrational Motion in Hydrogen-Bonded Systems	Computational modeling to predict the structure and vibrational spectra of hydrogen-bonded systems
RUI: Computational Models for Coupled Free/Porous Media Flow	Computational fluid dynamics of fluids in porous media
RUI: Efficient Adaptive Backward Stochastic Differential Equation Methods for Nonlinear Filtering Problems	Developing massively parallel algorithms for nonlinear filtering of noisy data
RUI: Investigation of the structure and dynamics of type IV pilus filaments using all-atom and coarse-grained molecular dynamics	Computational study of the biomechanics of protein filaments

Education

Title	Summary
Collaborative Research: Polar (NSF 19-601): RUI: Computational Polar ENgagement through GUided INquiry (Computational PENGUIN)	Using guided inquiry, students analyze polar data and perform climate modeling
Computational Chemistry Activities with Avogadro and ORCA	Implementing quantum chemistry calculations in the undergraduate physical chemistry laboratory
An in silico bioinformatics laboratory manual for bioscience departments: ‘prediction of glycosylation sites in phosphoethanolamine transferases’	Implementing bioinformatics in undergraduate biology education
PICUP: A Community of Teachers Integrating Computation into Undergraduate Physics Courses	Many examples of the integration of computation into undergraduate physics classes
Preparing students for the data-driven life science era through a real-world viral infection case	Incorporating Cytoscape to study virus-host protein-protein interactions
Next-generation teaching: a template for bringing genomic and bioinformatic tools into the classroom	Analysis of next-generation sequencing (NGS) data to investigate prokaryotic diversity
Teaching molecular phylogenetics through investigating a real-world phylogenetic problem	Incorporating a phylogenetics exercise
Integration of Computational Chemistry into the Undergraduate Organic Chemistry Laboratory Curriculum	Computational chemistry in organic chemistry lab
Interdisciplinary Learning with Computational Chemistry: A Collaboration between Chemistry and Geology	Computational chemistry in an interdisciplinary class with geology
Access to Computational Chemistry for Community Colleges via WebMO	Access to WebMO for community colleges
Molecular Modeling and Computational Chemistry at Humboldt State University