Explore Q-Chem Features
Highlights of the Q-Chem 5.3 webinar:
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Support for meta-GGA density functionals in calculations of TDDFT analytic forces and vibrational frequencies
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Nvidia GPU acceleration of energy, gradients, and frequency calculations with most density functionals (via BrianQC)
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Cloud computing using Amazon EC2
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Suite of methods for simulating X-ray spectroscopy
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Simulation of resonance Raman spectroscopy
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Level-shifting DIIS for improved SCF convergence in difficult cases
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Nuclear-electronic orbital methods