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Place

Location: ICTP
Address: Strada Costiera, 11 I - 34151 Trieste (Italy)
Date: 11 May 09:00 - 18:00

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Data-manifold Characterisation: Estimating Intrinsic Dimension, Density, and Density Peaks with DADApy
ICTP
Coffee Break
ICTP
Training Neural Network Potentials with PANNA
ICTP
Lunch Break & Registrations
ICTP
Opening Remarks
ICTP
Symmetry and Uncertainty-aware Models of Interatomic Interactions for Fast Molecular Dynamics
ICTP
A Unified Understanding of Equivariant Interatomic Potentials
ICTP
Atomic Cluster Expansion based Force Fields for Molecular Materials
ICTP
Coffee Break
ICTP
Unsupervised Learning of Group Invariant and Equivariant Representations and its Application to Molecular Conformations
Unsupervised Representation Learning on Molecular Conformations
ICTP
Interpretable Embeddings from Molecular Simulations using Gaussian Mixture Variational Autoencoders
Learning Explainable Models from Complex Data with Applications in QSAR (Quantitative Structure-activity Relationships) Modelling
ICTP
Transportation to SISSA
ICTP

Organizers

Stefano De Gironcoli (International School for Advanced Studies), Patrick Rinke (Aalto University), Kevin Rossi (Ecole Polytechnique Fédérale de Lausanne), Milica Todorović (Turku University), Claudio Zeni (International School for Advanced Studies), Local Organiser: Sandro Scandolo (ICTP)

Co-sponsors