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Loïc Lannelongue, University of Cambridge.
Monday 16 March 2026, 14:30-15:00
https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09
Contact: No managers listed
0 upcoming talks View 55 archived talks
Lennard-Jones Centre
Green Algorithms, Green DiSC and GREENER principles: making computational science more environmentally sustainable
Lennard-Jones Centre
Machine learning for excited state dynamics
Lennard-Jones Centre
Single-particle and collective dynamics in arrested phase-separating glassy mixtures
Lennard-Jones Centre
DFT is so 2008?
Lennard-Jones Centre
Aqemia: Drug Discovery using Physics and AI
Lennard-Jones Centre
Using Molecular DFT to Study Dichloromethane under High Pressure.
Lennard-Jones Centre
Learning What Matters: Patterns, Predictions, and Actions for Materials
Lennard-Jones Centre
From clustering to demixing: stability of bidisperse ultrasoft solids
Lennard-Jones Centre
Predicting Thermoelectric Materials Through Crystal Structure Prediction and Energy Filtering Mechanisms
Lennard-Jones Centre
Fast Superconductivity Through Chemical Bonding Interactions.
Lennard-Jones Centre
Computational Strategies for Modelling Defects in Semiconductors
Lennard-Jones Centre
Bypassing the lattice BCS–BEC crossover in strongly correlated superconductors through multiorbital physics
Lennard-Jones Centre
Fine-tuning foundation models of materials interatomic potentials with frozen transfer learning
Lennard-Jones Centre
Thermal Conductivity of Complex Materials from Atomistic Simulations
Lennard-Jones Centre
Search for superconducting ternary hydrides at moderate and low pressures with EDDP
Lennard-Jones Centre
Teaching oxidation states to neural networks
Lennard-Jones Centre
Phonon Screening of Excitons in Semiconductors and Insulators
Lennard-Jones Centre
Insights into the activity and stability of bimetallic catalysts
Lennard-Jones Centre
Title to be confirmed
Lennard-Jones Centre
Uncovering Fluctuations in Water through Data-Driven Chemical Physics
Lennard-Jones Centre
Mapping Synthetic Accessibility in Inorganic Materials Discovery
Lennard-Jones Centre
Models for atomistic simulations: beyond interatomic potentials
Lennard-Jones Centre
Understanding biomolecular condensates across scales from computer simulations
Lennard-Jones Centre
Beyond-quasiparticles spectral functions and transport from electron-phonon coupling
Lennard-Jones Centre
Leveraging different steps of the electronic structure ladder to understand H2 adsorption
Lennard-Jones Centre
Out of the Crystalline Comfort Zone: Tackling Working Interfaces with Machine Learning
Lennard-Jones Centre
Data-driven material discovery and synthesis for perovskite optoelectronic materials
Lennard-Jones Centre
Bright Insights: Decoding Nickel(II) Luminescence with Theory and Experiment
Lennard-Jones Centre
Neural DFT: A transformative approach to multiscale modelling
Lennard-Jones Centre
Chemical reactivity in organic solvents using machine learning interatomic potentials
Lennard-Jones Centre
Dynamical Mean-Field Theory for Correlated Materials
Lennard-Jones Centre
Learning Conical Intersections for Excited States Using Smooth Invariants
Lennard-Jones Centre
Unlocking the Potential of Lithium Thiophosphate: Atomistic Insights on its Surface Reactivity
Lennard-Jones Centre
Waterfalls: umbilical cords at the birth of Hubbard bands
Lennard-Jones Centre
Understanding carbonate mineral crystallisation from atomistic simulations of ion association, surface adsorption and impurity incorporation processes
Lennard-Jones Centre
Wavepacket studies of the water-dimer: insights from exact quantum dynamics
Lennard-Jones Centre
Crystallinity characterization of white matter in the human brain
Lennard-Jones Centre
Specific ion effects in aqueous electrolyte solutions from first-principles derived neural network potentials
⚠️ Virtual
Lennard-Jones Centre
Pre-training Molecular Graph Representation with 3D Geometry
Lennard-Jones Centre
Simulating Thousands of Atoms using Linear Scaling BigDFT
Lennard-Jones Centre
Identifying degradation patterns of lithium ion batteries from impedance spectroscopy using machine learning
Lennard-Jones Centre
Equivariant N-centered representations for atomistic machine learning
Lennard-Jones Centre
Polyphasic linkage and the impact of ligand binding on the regulation of biomolecular condensates.
⚠️ https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT09
Lennard-Jones Centre
Water transport in boron nitride nanotube membranes
Lennard-Jones Centre
Bridging Length Scales in Electrolyte Transport Theory via the Onsager Framework
Lennard-Jones Centre
Infrared Spectra at Coupled Cluster Accuracy from Neural Network Representation
Lennard-Jones Centre
How to best use TDDFT in Ehrenfest dynamics
Lennard-Jones Centre
Language based Pre-training for Drug Discovery
Lennard-Jones Centre
Machine Learning in Chemical Reaction Space
Lennard-Jones Centre
Ab Initio Theory of Exciton Transport from the Ballistic to Diffusive Regimes
Lennard-Jones Centre
Excited-state learning for longer time scales and the simulation of excited tyrosine
Lennard-Jones Centre
Modelling of Complex Energy Materials with Machine Learning
Lennard-Jones Centre
Long Range Interactions and Aqueous Assembly
Lennard-Jones Centre
A coarse-grained perspective on water's dielectric response at interfaces
Lennard-Jones Centre
Quantum Machine Learning
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