Q-Chem Courses and Certifications

QChemSoftware

Q-Chem Workshop - Introduction to Computational Chemistry Methods and Software

Master Q-Chem software through hands-on sessions covering DFT, geometry optimization, spectroscopy, solvent models, and coupled cluster methods for computational chemistry applications.

• YouTube
• 4 hours 50 minutes
• On-Demand
• Free Video

QChemSoftware

Computational Spectroscopy Techniques in Q-Chem - Session 2

Explore computational spectroscopy techniques in Q-Chem, covering vibrational, vibronic, and electronic spectroscopies for UV/Vis and X-ray domains. Includes lab exercise for hands-on learning.

• YouTube
• 33 minutes
• On-Demand
• Free Video

QChemSoftware

Q-Chem 6 Generation: Features and Developments in Quantum Chemistry Software

Explore cutting-edge features in Q-Chem 6, including spectroscopy modeling, energy decomposition analysis, DFT improvements, quantum mechanochemistry, and nuclear-electronic orbital methods.

• YouTube
• 34 minutes
• On-Demand
• Free Video

QChemSoftware

Constrained CASSCF and Tight-Binding Calculations in Q-Chem

Explore constrained CASSCF methods for studying electron transfer in open quantum systems and learn tight-binding approximations for large-scale quantum chemistry calculations.

• YouTube
• 57 minutes
• On-Demand
• Free Video

QChemSoftware

Nuclear-Electronic Orbital Ab Initio Wavefunction Methods in Q-Chem

Explore advanced NEO methods in Q-Chem for incorporating nuclear quantum effects like zero-point energy and hydrogen tunneling into electronic structure calculations.

• YouTube
• 59 minutes
• On-Demand
• Free Video

QChemSoftware

Recent Coupled Cluster Developments in Q-Chem

Explore recent coupled cluster developments in Q-Chem, including EOM-CCSDT variants and CCSDt method for accurate electron correlation in challenging molecular systems.

• YouTube
• 49 minutes
• On-Demand
• Free Video

QChemSoftware

XCIS-CVS - Core-Level Spectroscopy in Q-Chem

Explore XCIS-CVS implementation in Q-Chem for modeling core-to-valence transitions and X-ray absorption spectroscopy in open-shell systems and transition-metal complexes.

• YouTube
• 49 minutes
• On-Demand
• Free Video

QChemSoftware

PBC Development in Q-Chem - 2024 Wormit Award

Explore advancements in Q-Chem's PBC package for periodic systems, including hybrid DFT speedup and MPI parallelization. Learn about current functionality and future development directions.

• YouTube
• 1 hour 2 minutes
• On-Demand
• Free Video

QChemSoftware

Energy Decomposition Analysis Techniques in Q-Chem - Session 3

Explore energy decomposition analysis techniques in Q-Chem, including the new force decomposition analysis method, with Yuezhi Mao from UC San Diego.

• YouTube
• 25 minutes
• On-Demand
• Free Video

QChemSoftware

Q-Chem: An Engine for Innovation - 2024 Virtual Winter School in Computational Chemistry

Explore recent developments and new features in Q-Chem code with Martin Head-Gordon from UC Berkeley, highlighting advancements in computational chemistry software.

• YouTube
• 36 minutes
• On-Demand
• Free Video

QChemSoftware

Development of Nuclear-Electronic Orbital Methods in Q-Chem 6

Explore advanced nuclear-electronic orbital methods in Q-Chem 6, including NEO-PCM and NEO-QM/MM approaches, for capturing nuclear quantum effects in chemical and biological applications.

• YouTube
• 1 hour
• On-Demand
• Free Video

QChemSoftware

Calculating NMR Shielding with GIAO - Q-Chem Webinar 70

Explore numerical finite difference approach for NMR shielding calculations using gauge-including atomic orbitals. Learn theory, implementation, and results with κ-MP2 and MP2.X methods in Q-Chem software.

• YouTube
• 43 minutes
• On-Demand
• Free Video

QChemSoftware

Introduction to Q-Chem Software Package - Session 1

Explore Q-Chem software: features, community, and applications in computational chemistry. Learn about ground state methods, excited states, and molecular dynamics simulations.

• YouTube
• 31 minutes
• On-Demand
• Free Video

QChemSoftware

New Features in Q-Chem 6 - 2023 Virtual Winter School in Computational Chemistry

Explore the latest advancements in computational chemistry software with insights on Q-Chem 6.0 and upcoming features in version 6.1, enhancing your research capabilities.

• YouTube
• 30 minutes
• On-Demand
• Free Video

QChemSoftware

Projection-based Quantum Mechanical Embedding Methods in Q-Chem - Webinar 67

Explore projection-based embedding theory in Q-Chem for accurate quantum mechanical modeling of chemical processes in condensed-phase systems, presented by expert Yuezhi Mao.

• YouTube
• 1 hour 4 minutes
• On-Demand
• Free Video