Courses from 1000+ universities
Discover an easier way to explore affordable, credit-worthy online courses with our expanded community college catalog.
600 Free Google Certifications
Web Development
Python
Graphic Design
Astronomy: Exploring Time and Space
Inglés empresarial: ventas, gestión y liderazgo
AI and Big Data in Global Health Improvement
Organize and share your learning with Class Central Lists.
View our Lists Showcase
Explore cutting-edge features in Q-Chem 6, including spectroscopy modeling, energy decomposition analysis, DFT improvements, quantum mechanochemistry, and nuclear-electronic orbital methods.
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.
Explore QMHub for efficient QM/MM simulations in biochemical reactions, combining enhanced sampling and machine learning for accurate modeling of biomolecular systems.
Crash course on IQmol: build molecules, submit calculations, analyze results. Includes overview and hands-on lab exercise for Q-Chem's graphical interface.
Explore energy decomposition analysis techniques in Q-Chem, including the new force decomposition analysis method, with Yuezhi Mao from UC San Diego.
Explore recent developments and new features in Q-Chem code with Martin Head-Gordon from UC Berkeley, highlighting advancements in computational chemistry software.
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.
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.
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.
Advances in OO-DFT for modeling core-level excitations, focusing on SGM method and spin contamination. Applications to transient X-ray absorption spectroscopy, including Jahn-Teller distortion and symmetry breaking in molecular cations.
Explore excited state equation of motion coupled cluster methods for modeling spectroscopy with Prof. Anna Krylov. Learn advanced techniques for computational chemistry applications.
Explore Q-Chem software: features, community, and applications in computational chemistry. Learn about ground state methods, excited states, and molecular dynamics simulations.
Explore energy decomposition analysis techniques, covering theory and applications in Q-Chem software, with Prof. Yuezhi Mao from the University of San Diego.
Explore density functional theory methods with Prof. Martin Head-Gordon, covering key concepts, functional design, and performance analysis 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.
Get personalized course recommendations, track subjects and courses with reminders, and more.