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This course will introduce important results in non-equilibrium statistical mechanics and algorithms to compute properties out-of equilibrium. Coding exercises will deepen understanding of the formal results and provide insight in the physics of open syst ...
Speed and efficiency of codes for atomistic simulations can be improved through refactoring and tailoring for GPU architectures. This activity, however, comes with associated, often overlooked, costs, namely a reduced readability and flexibility upon optim ...
The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enhancing the accessibility and discoverability of materials and chemical data. ...
