CRC Fall 2021 Online Workshops

Register for all workshops at CRC Fall 2021 Online Workshop Registration | crc.pitt.edu | University of Pittsburgh.
You will receive an email with a Zoom link and password one week before the workshop.

Cluster Training
Wednesday, Sept. 8, 1-4pm
Description: CRC’s semi-annual cluster training workshop will go over access to the cluster, new hardware and modules, concepts for computations using SLURM, queuing strategies, using scratch space, and trapping exit codes for restarts. Presented by Research assistant professor Shervin Sammak.

Introduction to Version Control
Wednesday, Sept. 29, 1-4pm
Description: An overview of modern software development workflows using the git version control software and GitHub.com. This workshop is designed to help attendees hit the ground running in collaborative software development projects. Presented by research assistant professor Daniel Perrefort.

R Programming for Beginners
Thursday, Oct. 7, 1-4pm
Hands-on training on the R language syntax, how to run R code on the cluster, and strategies for parallelizing R code. Presented by research associate professor Kim Wong.

Introduction to ab initio, Part 1
Thursday, Oct. 14, 1-4pm
Introduction to ab initio electronic structure calculations for molecules and extended systems. The mean-field approximation and the Hartree-Fock method. Electronic correlation. Density-functional theory. Excited states: time-dependent density-functional theory. Presented by research assistant professor Leonardo Bernasconi.

Introduction to ab initio, Part 2
Thursday, Oct. 21, 1-4pm
Ab initio simulation of condensed phases. Crystal structure and symmetry. Band-structure calculations. Software for ab initio calculations in extended systems: plane-waves versus local basis functions. Ab initio molecular dynamics (AIMD): the Car-Parrinello and Born-Oppenheimer methods. AIMD in practice: simulation of chemical reactions in complex environments. Presented by research assistant professor Leonardo Bernasconi.