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Home
Organization
Speakers
Program
Schedule
Day by Day
Practical Information
Registration
Abstract Submission
Venue
Accommodation
Discover Brussels
Contact Us
Tuesday
August 30
Chemical Accuracy at Low Computational Cost with s-Functionals for the Kohn-Sham Correlation Energy
July 20, 2022
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Accurately Determining the Transition Temperature of Metal Halide Perovskites via RPA Calculations and Phase-Transferable Machine Learning Potentials
July 20, 2022
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Second-Principles Modelling of ABO3 Perovskites with MULTIBINIT
July 20, 2022
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Spin-Current DFT for Spin-Orbit Coupling in Materials
July 20, 2022
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New Canaries in the DFT Coal Mine: Evaluating Density Sensitivities with Normalized Metrics
July 20, 2022
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A Walk through Mechanistic Landscapes using DFT-based Molecular Dynamics
July 20, 2022
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Molecular Dynamics at the Fourth Rung of DFT Jacob’s Ladder is Made Two Orders of Magnitude Faster
July 20, 2022
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All-Atom Quantum Mechanical Calculation of the Second Harmonic Generation of Fluorescent Proteins
July 20, 2022
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First-Principles Hund’s J: a Promising yet Intriguing Low-Cost Generalised Kohn-Sham Band-Gap Correction Device
July 19, 2022
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Towards ML-Accelerated Discovery of Nanocatalytic Mechanisms
July 19, 2022
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