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VASP In MedeA: A Fast Way from Models to Reliable Results with Dr. Walter Wolf
Presented by Dr. Walter Wolf
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Wondering how first-principles calculations can SOLVE YOUR RESEARCH PROBLEM?
Looking for a powerful and convenient GRAPHIC USER INTERFACE for VASP?
Want to learn more about HIGH THROUGHPUT screening of materials properties using MedeA-VASP?
Dr. Wolf will use several applications in the field of metallurgy, semiconductor physics, and chemistry, to demonstrate the capabilities of MedeA-VASP.
Watch this webinar to:
LEARN how VASP's tight integration into the MedeA software environment enables easy access to comprehensive structural databases and advanced model building capabilities, like surfaces and interfaces.
SEE how MedeA's infrastructure can operate in a focused or high throughput mode, and EXPLORE how our sophisticated analysis techniques examine the wealth of output data while automatically keeping track of all data connected with a given job.
EXPERIENCE how the MedeA environment provides full interoperability between VASP and a range of other computational techniques including elastic, vibrational and thermodynamic properties, transport properties, reaction pathways, cluster expansion and also ab-initio based optimization of forcefield parameters.
DISCOVER what's NEW with MedeA-VASP
More on VASP:
The Vienna Ab-initio Simulation Package (VASP) is the world's leading first-principles solid state electronic structure program for solids, surfaces, and interfaces. Its proven accuracy and high level of computational robustness for standard computations such as geometry optimizations and ab initio molecular dynamics simulations is complemented by a wide array of advanced features, such as semi-local and highly accurate non-local functionals, capture of Van der Waals interactions, collinear and non-collinear magnetism as well as spin-orbit coupling. An extensive list of properties can be calculated without relying on empirical parameters, for instance dielectric and piezoelectric tensors, optical spectra, highly accurate band topology and gaps (GW), electric field gradients and NMR chemical shifts, and many more.