This webinar will cover the breadth of new features available in Q-Chem 7, the latest generational release of Q-Chem. Developer groups across the globe have contributed many new methods for studying electronic and molecular structure, spectroscopy, intermolecular interactions, and reaction mechanisms.
Q-Chem 7 introduces a plethora of unique features and improvements, including new DFT features (such as the COACH functional, and a new numerical sparsity algorithm for linear-scaling double-hybrid DFT); new modules for periodic and biomolecular systems; new spectroscopy features, like MPI-enabled NMR; novel EDA methods; new correlated methods like MRSF-TDDFT, and much more!
Speaker: Prof. Martin Head-Gordon