Class Central is learner-supported. When you buy through links on our site, we may earn an affiliate commission.

YouTube

PBC Development in Q-Chem - 2024 Wormit Award

QChemSoftware via YouTube

Overview

Save Big on Coursera Plus. 7,000+ courses at $160 off. Limited Time Only!
Explore the latest advancements in periodic boundary conditions (PBC) development for Q-Chem software in this award webinar featuring Adam Rettig, the 2024 Wormit Award winner. Dive into the world of computational chemistry as Rettig discusses the growing importance of atom-centered Gaussian type orbitals (GTOs) in studying periodic systems. Learn about Q-Chem's PBC package (QCPBC) and its ability to apply decades of GTO-based features to periodic systems. Discover recent improvements in QCPBC, including hybrid DFT speedup through density fitting and MPI parallelization of core routines. Gain insights into ongoing development directions and examine practical examples of QCPBC inputs to understand the package's current capabilities.

Syllabus

2024 Wormit Award (Adam Rettig): PBC Development In Q-Chem

Taught by

QChemSoftware

Reviews

Start your review of PBC Development in Q-Chem - 2024 Wormit Award

Never Stop Learning.

Get personalized course recommendations, track subjects and courses with reminders, and more.

Someone learning on their laptop while sitting on the floor.