Q-Chem Webinars

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Learn about Q-Chem features and applications by watching the recordings of webinars presented by Q-Chem developers and users.

Mathew Chow
Development of NEO Methods in Q-Chem 6

Webinar 71
Jonathan Wong
Calculating NMR Shielding with GIAO

Webinar 70
Diptarka Hait
OO-DFT for Core-level Excitations and Applications to Molecular Symmetry…

Webinar 68
Yuezhi Mao
Projection-based Quantum Mechanical Embedding Methods in Q-Chem

Webinar 67
Dr. Elfi Kraka and Dr. Marek Freindorf
Decoding chemical information from vibrational…

Webinar 66
Prof. Thomas Jagau
Non-Hermitian quantum chemistry methods in Q-Chem

Webinar 65
Prof. Martin Head-Gordon
Q-Chem 6: Dawn of the Next Generation

Webinar 64
Florian Matz
Theoretical Treatment of Auger Decay with Non-Hermitian Quantum Chemistry…

Webinar 63
Dr. Xintian Feng
RI-DFT in Q-Chem 6 (2022 Wormit Award Presentation)

Webinar 62
Dr. Maristella Alessio
Equation-of-Motion Coupled-Cluster Protocol for Calculating…

Webinar 61
Diptarka Hait
Orbital Optimized Density Functional Theory for Electronic Excited States

Webinar 60
Dr. David Casanova
Restricted Active Space CI family of methods in Q-Chem

Webinar 59
Prof. Tim Neudecker
Geometry optimizations and AIMD simulations of molecules under…

Webinar 58
Eugene DePrince
Reduced-density-matrix-based methods in Q-Chem for strongly-correlated…

Webinar 57
Prof. Martin Head-Gordon
Evaluating Oxidation States in Challenging Organometallic…

Webinar 56
Prof. Kristi Closser, Prof. Shirin Faraji, Dr. Andrew Gilbert, and Prof. Anna Krylov
…

Webinar 55
Dr. Selim Sami
Q-Force: Automated parametrization of QM-based force fields using Q-Chem

Webinar 53
Dr. Marta Lopez-Vidal
Development and Applications of Coupled-Cluster Methods for X-…

Webinar 52
Prof. John Herbert
Implicit Solvation Models in Q-Chem, for Ground and Excited States

Webinar 51
Dr. Evgeny Epifanovsky
What's New in Q-Chem 5.4?

Webinar 50
Dr. Bushra Alam
Ab-Initio Frenkel Davydov Exciton Model: A tool to investigate…

Webinar 49
Dr. Samer Gozem
The ezSpectra Suite: An easy-to-use Toolkit for Spectroscopy Modeling

Webinar 48
Dr. Yuezhi Mao
Electronic structure methods based on absolutely localized molecular…

Webinar 47
Dr. Pavel Pokhilko
From single-molecule magnets to infinite spin chains: A many-body…

Webinar 46
Dr. Maximillian Menger and Dr. Vale Cofer-Shabica
Chemistry doesn't happen in a vacuum…

Webinar 45
Dr. Maximilian Menger
PySurf - A Framework for Database Accelerated Direct Dynamics

Webinar 44
Felix Plasser
New Analysis Tools for Excited-State Quantum Chemistry: The libwfa…

Webinar 43
István Ladjánszki
GPU Computing with Q-Chem and BrianQC

Webinar 42
Zhen (Coraline) Tao
NEO method available in Q-Chem 5.3: Integrating electronic and…

Webinar 41
Evgeny Epifanovsky
What's New in Q-Chem 5.3

Webinar 40
Yuezhi Mao
A Practical Guide to ALMO-EDA in Q-Chem

Webinar 39
Kevin Carter-Fenk
XSAPT: Accurate and Efficient Method for Noncovalent Interactions

Webinar 38
Martin Head-Gordon
Orbital optimized MP2 in Q-Chem - A useful method without strong…

Webinar 37
Anna Krylov
Core-level spectroscopy in Q-Chem

Webinar 36
Pavel Pokhilko
Mixed-precision algorithms for coupled-cluster calculations

Webinar 35
István Ladjánszki
BrianQC 0.8 GPU Module for Q-Chem 5

Webinar 34
Simon McKenzie
New Effective Core Potential Capabilities in Q-Chem 5

Webinar 33
Yuezhi Mao
Energy Decomposition Analysis in Q-Chem

Webinar 32
Andrew Gilbert
IQmol Intricacies

Webinar 31
Prof. Peter Gill
IQmol for Beginners

Webinar 30
Dan Levine
New Multi-Reference Methods in Q-Chem 5.1

Webinar 29
Prof. John Herbert
A Preview of Q Chem 5.1

Webinar 28
Prof. Yihan Shao
A Few Hidden Features in Q-Chem for Geometry Optimization,…

Webinar 27
Prof. Martin Head-Gordon
A Preview of Q-Chem 5.0

Webinar 26
Adrian Morrison
New Approaches to Excited State Quantum Chemistry of Extended…

Webinar 25
Prof. Martin Head-Gordon
New density functionals in Q-Chem 4.4: What is the best…

Webinar 24
Evgeny Epifanovsky
New Features in the Q-Chem 4.4 Release

Webinar 23
Prof. Troy Van Voorhis and Dr. Michael Mavros
Constrained Density Functional Theory

Webinar 22
Prof. Jeng-Da Chai
TAO-DFT and Its Applications to Zigzag Graphene Nanoribbons

Webinar 21
Prof. Martin Head-Gordon
Combinational design of new density functionals using a "…

Webinar 20
Prof. John Herbert
Accurate & Efficient Calculation of Non-Covalent Interactions…

Webinar 19
Prof. Joseph Subotnik
Electron and Energy Transfer in Molecules

Webinar 18
Prof. Anna Krylov
What is New in Coupled-Cluster/Equation-of-Motion Suite of Methods…

Webinar 17
Prof. Anna Krylov, Prof. Daniel Lambrecht, Prof. John Herbert and Zhengting Gan
Q-Chem…

Webinar 17
Prof. Andreas Dreuw
ADC in Q-Chem: A Versatile Module for Excited, Ionized and…

Webinar 16
Abir Ganguly
Exploring Reaction Pathways using QM/MM Free Energy Simulations:…

Webinar 15
Prof. Ryan P. Steele
Beyond Critical Points: Ab Initio Dynamics & Sampling in Q-…

Webinar 14
Prof. Nick Besley
Studying X-ray Absorption Spectroscopy With Q-Chem

Webinar 13
Prof. Martin Head-Gordon
What's New in Q-Chem 4.1

Webinar 12
Prof. Roi Baer and Tamar Stein
Tune your Range Separated Hybrid and Breathe Life into…

Webinar 11
Emil Proynov
Free Ride Through Some Aspects of Density Functional Theory

Webinar 10
Prof. H. Lee Woodcock
The Q-Chem/CHARMM Interface for QM/MM Studies

Webinar 9
Roberto Peverati
An Overview of the Minnesota Exchange-Correlation Functionals for DFT…

Webinar 8
Prof. Daniel Lambrecht
MP2 Methods in the Q-Chem Software Package

Webinar 7
Prof. Chao-Ping (Cherri) Hsu
The Electronic Couplings in Electron Transfer and…

Webinar 6
Prof. Alán Aspuru-Guzik
The Harvard Clean Energy Project

Webinar 5
Prof. John Herbert
Exploring Solvation Effects with Polarizable Continuum Solvation…

Webinar 4
Prof. Anna Krylov
Studying Excited States and Open-Shell Species with Q-Chem: A…

Webinar 3
Andrew Gilbert
Using the IQmol interface to Q-Chem

Webinar 2
Prof. Martin Head-Gordon
Exploring Reaction Paths Using the Freezing String Method

Webinar 1
Shirin Faraji
2023 VWSCC Session 01: Introduction to Q-Chem
Martin Head-Gordon
2023 VWSCC Session 03: Density Functional Theory Overview
Martin Head-Gordon
2023 VWSCC Session 06: Molecular Properties and Spectra Using DFT…
John Herbert
2023 VWSCC Session 08: Solvent Models
Anna Krylov
2023 VWSCC Session 09: Coupled Cluster Methods for Excited States to Model…
Madhubani Mukherjee, Nayanthara Karippara Jayadev, Goran Giudetti, and Pawel Wojcik
…
Andrew Gilbert
2023 VWSCC Session 12: New Features in Q-Chem 6
Shannon Houck
2023 VWSCC Session 02: Introduction to IQmol
George Baffour Pipim, Ronit Sarangi, Goran Giudetti, and Pawel Wojcik
2023 VWSCC…
Yuezhi Mao
2023 VWSCC Session 05: Energy Decomposition Analysis
Peter McLaughlin
2023 VWSCC Session 04: Geometry Optimization In Q-Chem
Leonardo dos Anjos Cunha and Juan Arias-Martinez
2023 VWSCC Session 07: DFT Exercises