Accuracy and Precision for Extended Systems (APES) Group

Dr. Jiri Klimes

Associate Professor

Research: I am interested in interactions occuring in atomic or molecular clusters, adsorption of on solid surfaces or porous materials and in molecular solids. We test how accurate different methods are in describing the interactions, focusing mainly on methods based on quantum mechanics. I also like the results to be precise, and we analyze different contributions to numerical errors and search for ways how to reduce or remove them.
Email: [name].[surname]@matfyz.cuni.cz

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Dr. Sirous Yourdkhani

Postdoc

Research: I am working on understanding the accuracy of theoretical methods for the description of intermolecular interactions. For this I am using many-body expansion.

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Dr. Pham Ngoc Khanh

Postdoc

Research: I am working on understanding the accuracy of random-phase approximation.

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Kyrillo Prokofiev

PhD student

Research: I work on accuracy and precision analysis of adsorption.

Nicolas Gavorník

BSc student

Research: I study hydrogen delocalization in simple systems.