PSICon, November 9-10, 2018
Meeting Time and Location
The meeting will be held from 10am on Friday, November 9, until noon on Saturday, November 10, in the Molecular Science and Engineering (MoSE) building at Georgia Tech. Nearby hotels, and local travel information, is available here.
We are planning on providing coffee and a light breakfast on Friday and Saturday mornings, and lunch on Friday afternoon. Participants are requested to register so that we can get a headcount for planning purposes.
Ohio State, Virginia Tech, Emory, Morehouse, MolSSI, University of Georgia, Florida State, University of Tennessee, Bethel University, Auburn University, Nicolaus Copernicus University, OpenEye Software, NIH, Georgia Tech
Agenda(details subject to change)
Thursday, Nov 8 (MoSE 4202A and/or 3201A)
- Hacking session for core-developers
Friday, Nov 9 (MoSE 3201A)
Saturday, Nov 10 (MoSE 1201A)
- 9:30- 9:45 - Multi-Core Scaling of Psi4 - Zach Glick and Joe O'Brien
- 9:45-10:00 - Eugene DePrince - Combining Reduced-Density Matrix and Density Funcational Theories
- 10:00-11:30 - Lightning Talks
- Jacob Townsend, UTK, Can we Learn CC Amplitudes from MP2 using ML?
- Harper Grimsley, VT, Psi4 Implementation of Molecule-in-molecule Geometry Optimization
- Tianyuan (Sam) Zhang, Emory, Recent Developments in Ambit
- Asim Alenaizan, GT, The Many-Body Expansion Driver: Features and Parallelism
- Andy Simmonett, NIH, QM/MM and HelPME
- Justin Turney, UGA, JupyterHub
- Justin Turney, UGA, SymPy in PyOptKing
- Lori Burns, GT, What QCElemental Can Do for You
- Daniel Smith, MolSSI, The QCJSON Schema
- Konrad Patkowski, Auburn, Integrals
- 11:30-12:00 - Wrapup discussion