https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09


2021-10-11 16:00: Quantum Machine Learning (O. Anatole von Lilienfeld, University of Vienna)

2021-10-11 16:30: A coarse-grained perspective on water's dielectric response at interfaces (Georg Menzl, Lawrence Berkeley National Laboratory)

2021-10-18 16:00: Long Range Interactions and Aqueous Assembly (Richard Remsing, Rutgers University)

2021-10-18 16:30: Modelling of Complex Energy Materials with Machine Learning (Nongnuch Artrith, Utrecht University)

2021-10-25 16:00:   Excited-state learning for longer time scales and the simulation of excited tyrosine (Julia Westermayr, University of Warwick)

2021-10-25 16:30: Ab Initio Theory of Exciton Transport from the Ballistic to Diffusive Regimes (Diana Qiu, Yale University)

2021-11-15 16:00: Machine Learning in Chemical Reaction Space (Sina Stocker, Technical University of Munich)

2021-11-15 16:30: Language based Pre-training for Drug Discovery (Bharath Ramsundar)

2021-11-22 16:00: How to best use TDDFT in Ehrenfest dynamics (Neepa Maitra, Rutgers University)

2021-11-22 16:30: Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representation  (Fabien Brieuc, CEA)

2021-11-29 16:00: Bridging Length Scales in Electrolyte Transport Theory via the Onsager Framework (Kara Fong, UC Berkeley)

2022-05-09 14:00: Water transport in boron nitride nanotube membranes (Sritay Mistry, University of Edinburgh)

2022-05-16 14:00: Polyphasic linkage and the impact of ligand binding on the regulation of biomolecular condensates. (Dr Kiersten Ruff, Washington University in St. Louis)

2022-05-30 14:00: Equivariant N-centered representations for atomistic machine learning (Jigyasa Nigam, Swiss Federal Institute of Technology Lausanne (EPFL), Switzerland)

2022-05-30 14:30: Identifying degradation patterns of lithium ion batteries from impedance spectroscopy using machine learning (Yunwei Zhang, Sun Yat-sen University)

2022-06-20 14:30: Simulating Thousands of Atoms using Linear Scaling BigDFT (Laura Ratcliff, University of Bristol)

2022-06-27 14:00: Pre-training Molecular Graph Representation with 3D Geometry (Hanchen Wang, Cambridge)

2022-10-17 14:30: Specific ion effects in aqueous electrolyte solutions from first-principles derived neural network potentials  (Dr Shuwen Yue, Massachusetts Institute of Technology, USA)

2022-10-24 14:00: Crystallinity characterization of white matter in the human brain (Prof. Erin Teich, Department of Physics, Wellesley College, USA)

2022-10-31 14:00: Wavepacket studies of the water-dimer: insights from exact quantum dynamics (Steve Ndengué, Senior Lecturer, ICTP-EAIFR. )

2022-10-31 14:30: Understanding carbonate mineral crystallisation from atomistic simulations of ion association, surface adsorption and impurity incorporation processes (Julie Aufort, IMPMC, CNRS, Sorbonne Université, MNHN, IRD, 4 place Jussieu, Paris, France)

2024-11-04 14:00: Waterfalls: umbilical cords at the birth of Hubbard bands (Juraj Krsnik, Institute of Solid State Physics, TU Wien, Austria)

2024-11-18 14:00: Unlocking the Potential of Lithium Thiophosphate: Atomistic Insights on its Surface Reactivity (Dr Hanna Tuerk)

2024-11-18 14:30: Learning Conical Intersections for Excited States Using Smooth Invariants (Dr. Timon S. Gutleb, University of Leeds)

2024-12-02 14:30: Dynamical Mean-Field Theory for Correlated Materials (Eva Pavarini,  Peter Grünberg Institut, Forschungszentrum Jülich, Germany)

2025-03-17 14:00: Chemical reactivity in organic solvents using machine learning interatomic potentials (Dr Julia Yang (Georgia Tech))

2025-03-17 14:30:   Neural DFT: A transformative approach to multiscale modelling (Dr Stephen J Cox (Durham University))

2025-05-12 14:00:  Bright Insights: Decoding Nickel(II) Luminescence with Theory and Experiment (Dr. Oskar Weser, Massachusetts Institute of Technology)

2025-05-12 14:30: Data-driven material discovery and synthesis for perovskite optoelectronic materials (Yilei Wu, University of Cambridge)

2025-06-09 14:30: Out of the Crystalline Comfort Zone: Tackling Working Interfaces with Machine Learning (Karsten Reuter, Fritz-Haber-Institut der Max-Planck-Gesellschaft)

2025-06-16 14:00: Leveraging different steps of the electronic structure ladder to understand H2 adsorption (Dr Yasmine Al-Hamdani, University of Naples Federico II)

2025-10-13 14:00: Beyond-quasiparticles spectral functions and transport from electron-phonon coupling (Jae-Mo Lihm, Center for Computational Quantum Physics, Flatiron Institute)

2025-10-13 14:30: Understanding biomolecular condensates across scales from computer simulations (Dr Pin Yu Chew, Yusuf Hamied Department of Chemistry, University of Cambridge)

2025-11-03 14:00: Models for atomistic simulations: beyond interatomic potentials (Filippo Bigi, EPFL, Switzerland)

2025-11-03 14:30: Mapping Synthetic Accessibility in Inorganic Materials Discovery (Matthew McDermott, Newfound Materials, USA)

2025-11-10 14:00: Uncovering Fluctuations in Water through Data-Driven Chemical Physics (Prof. Ali Hassanali, ICTP, Italy)

2025-11-10 14:30: Title to be confirmed (Dr Iryna Zaporozhets, Free University Berlin, Germany)

2025-11-17 14:00: Insights into the activity and stability of bimetallic catalysts (Prof. Manos Mavrikakis, University of Wisconsin–Madison, USA)

2025-11-17 14:30: Phonon Screening of Excitons in Semiconductors and Insulators (Prof. Marina Filip, University of Oxford, UK)

2025-11-24 14:00: Teaching oxidation states to neural networks (Dr Cristiano Malica, University of Bremen, Germany)

2025-11-24 14:30: Search for superconducting ternary hydrides at moderate and low pressures with EDDP (Dr Maelie Causse, University of Cambridge, UK)

2025-12-01 14:00: Thermal Conductivity of Complex Materials from Atomistic Simulations (Prof. Davide Donadio, UC Davis, USA)

2025-12-01 14:30: Fine-tuning foundation models of materials interatomic potentials with frozen transfer learning  (Mariia Radova, University of Warwick, UK)

2026-01-26 14:00: Bypassing the lattice BCS–BEC crossover in strongly correlated superconductors through multiorbital physics (Niklas Witt Wuerzburg University)

2026-01-26 14:30: Computational Strategies for Modelling Defects in Semiconductors (Dr Seán Kavanaugh, University of Cambridge)

2026-02-16 14:00: Fast Superconductivity Through Chemical Bonding Interactions. (Francesco Belli - Unifersity of Buffalo)

2026-02-16 14:30: Predicting Thermoelectric Materials Through Crystal Structure Prediction and Energy Filtering Mechanisms (Simone Di Cataldo - Sapienza university of Rome)

2026-02-23 14:00: From clustering to demixing: stability of bidisperse ultrasoft solids (Dr Roshan Maharana)

2026-02-23 14:30: Learning What Matters: Patterns, Predictions, and Actions for Materials (Dr Kevin Maik Jablonka, Friedrich Schiller University Jena (Germany))

2026-03-02 14:00: Using Molecular DFT to Study Dichloromethane under High Pressure. (Jean-Marc Lude, CEA Saclay)

2026-03-02 14:30: Aqemia: Drug Discovery using Physics and AI (Laura Scalfi, Aqemia)

2026-03-09 14:00: DFT is so 2008? (Aaron Kaplan, Lawrence Berkeley National Laboratory (USA))

2026-03-09 14:30: Single-particle and collective dynamics in arrested phase-separating glassy mixtures (Vittoria Sposini, University of Padova)

2026-03-16 14:00: Machine learning for excited state dynamics (Rhyan Barrett, Leipzig University)

2026-03-16 14:30: Green Algorithms, Green DiSC and GREENER principles: making computational science more environmentally sustainable (Loïc Lannelongue, University of Cambridge)