Explores the applications and challenges of Neural Quantum States in computational quantum science, including frustrated spins and quantum chemistry mappings.
Explores equivariant structural representations in atomistic machine learning, emphasizing the importance of representing target properties in the spherical basis.
Delves into predicting non-scalar properties beyond energies in scientific machine learning, focusing on dipole moments, polarizability, and dielectric response.
Introduces Scientific Machine Learning, emphasizing its application in various scientific fields and the connection between machine learning and physics.
Explores the connection between phase transitions in physics and computational problems, showcasing how insights from physics can inform algorithm design.
Covers Markov chain Monte Carlo and neural networks' role in quantum states representation and ground state approximation for frustrated spins systems.
Explores chemical reaction prediction using generative models and molecular transformers, emphasizing the importance of molecular language processing and stereochemistry.