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virtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09

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0 upcoming talks and 28 talks in the archive.

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Rapid Discovery of Novel Materials by Coordinate-free Coarse Graining using Wyckoff Representations

UserRhys Goodall .

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 26 July 2021, 16:30-17:00

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

A transferable active-learning strategy for reactive molecular force fields

UserFernanda Duarte, University of Oxford.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 12 July 2021, 16:30-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Ranking the information content of distance measures through the information imbalance

UserAldo Glielmo ( International School for Advanced Studies (SISSA).

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 28 June 2021, 16:30-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Machine Learning for Molecular Spectra and Solvent Effects

UserMichael Gastegger, Technische Universität Berlin.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 14 June 2021, 17:00-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Through the eyes of a descriptor: Constructing complete, invertible, descriptions of atomic environments

UserMartin Uhrin, EPFL.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 14 June 2021, 16:30-17:00

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Learning the molecular grammar of protein condensate formation

UserKadi Liis Saar.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 31 May 2021, 17:00-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Integrating machine learning and quantum chemistry with fully differentiable quantum chemistry

UserMuhammad Firmansyah Kasim, University of Oxford.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 31 May 2021, 16:30-17:00

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Kohn-Sham equations as regularizer: building prior knowledge into machine-learned physics

UserLi Li, Google Research.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 17 May 2021, 16:30-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Selected applications of machine learning for materials modeling: structural characterization and visualization, van der Waals interactions and X-ray spectroscopy

UserPatricia Hernández-León and Miguel A. Caro, Aalto University.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 03 May 2021, 16:30-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Data-Efficient Machine Learning with Chemical and Physical Priors

UserJohannes Margraf, Fritz-Haber-Institut der MPG.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 19 April 2021, 16:30-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Reinforcement Learning for 3D Molecular Design

UserGregor Simm.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 05 April 2021, 16:30-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

What can we learn from toy models?

UserAlbert Bartok-Partay, University of Warwick.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 22 March 2021, 17:00-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

dNNsolve: an efficient NN-based PDE solver

UserYvette Welling .

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 22 March 2021, 16:30-17:00

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Neural Equivariant Interatomic Potentials

UserSimon Batzner, Harvard University.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 08 March 2021, 16:30-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Neural Network Approximations for Calabi-Yau Metrics

UserChallenger Mishra.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 22 February 2021, 17:00-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Machine-learning-driven advances in modelling amorphous solids

UserVolker Deringer, University of Oxford.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 22 February 2021, 16:30-17:00

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

𝝙-Machine Learning for Molecular Crystal Structure Prediction

UserSimon Wengert, TU Munich.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 08 February 2021, 17:00-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Crystal Structure Search with Random Relaxations Using Graph Networks

UserGowoon Cheon, Stanford.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 08 February 2021, 16:30-17:00

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Global optimisation of atomistic structure with evolutionary algorithms and reinforcement learning

UserBjørk Hammer, Aarhus University.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 25 January 2021, 16:30-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Time Symmetries and Neurosymbolic Learning for Dynamical Systems

UserMiles Cranmer, Princeton University.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 11 January 2021, 16:30-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Graph Convolutional Networks for Atomic Structures

UserRachel Kurchin, Carnegie Mellon University.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 07 December 2020, 17:00-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Exploring the Linear Subspace Hypothesis in Gender Bias Mitigation

UserFrancisco Vargas Palomo.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 07 December 2020, 16:30-17:00

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Journal club: Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations

UserElena Gelžinytė.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 23 November 2020, 17:00-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Machine learning assisted accurate potential energy surfaces generation

UserFabio E. A. Albertani.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 23 November 2020, 16:30-17:00

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

e3nn: A modular PyTorch framework for Euclidean Neural Networks

UserMario Geiger .

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 09 November 2020, 17:00-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Neural Networks with Euclidean Symmetry for Physical Sciences

UserTess E. Smidt, Lawrence Berkeley National Laboratory.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 09 November 2020, 16:30-17:00

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Interpretable machine learning for critical evaluation of scientific ML models - the case of reaction prediction

UserDavid Peter Kovacs.

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 26 October 2020, 17:00-17:30

Machine learning in Physics, Chemistry and Materials discussion group (MLDG)

Towards explainable computational biology: small steps and many questions

UserBianca Dumitrascu .

Housevirtual ZOOM meeting ID: 263 591 6003, Passcode: 000042, https://us02web.zoom.us/j/2635916003?pwd=ZlBEQnRENGwxNmJGMENGMWxjak5nUT09.

ClockMonday 26 October 2020, 16:30-17:00

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