Extra Theoretical Chemistry Seminars 2009-04-17 12:00: Quantum computers for chemistry: Correlated quantum systems, chemical reaction dynamics, and exploring classical potential energy surfaces (Prof Alan Aspuru-Guzik (Department of Chemistry, Harvard)) 2009-05-01 12:00: Fun and controversy in modelling polarons (Prof Alexander Shluger (University College London)) 2009-05-08 12:00: Simulations of self-assembling synthetic proteins (Dr Peter Bolhuis (University of Amsterdam, The Netherlands)) 2009-06-05 12:00: The ultimate mesoscopic LEGO: complex self-assembly from anisotropic building blocks (Szilard Fejer (CUC3)) 2009-06-12 12:00: Birth of a liquid droplet (Professor Hans-Hennig von Gruenberg (University of Graz)) 2009-06-15 14:30: Using single-molecule manipulation to probe the dynamics of protein and DNA molecules (Professor Ching-Hwa Kiang (Department of Physics & Astronomy, Rice University, USA)) 2009-06-16 14:30: Physical theory of vaccine design for influenza and dengue fever (Professor Michael W Deem (Rice University, USA)) 2009-07-10 12:00: Dynamics of a bacterium moving by chemotaxis in its own secretion (Dr Ankush Sengupta (Institute for theoretical physics, University of Duesseldorf)) 2009-10-02 11:00: Computing absolute free energies of disordered structures by molecular simulation (Dr Tanja Schilling (Department of Physics, University of Mainz)) 2009-10-09 12:00: Coarse-grained modelling of biological and biomimetic surfactants (Craig Kitchen (CUC3)) 2009-10-09 12:25: Ring-polymer transition-state theory (Jeremy Richardson (CUC3)) 2009-10-16 12:00: Design of protein sequences with funneled free energy landscapes using a coarse-grained caterpillar model (Dr Ivan Coluzza (National Institute for Medical Research, London)) 2009-10-30 12:00: FCIMC, naturally (Deidre Cleland (CUC3)) 2009-10-30 12:25: Gas diffusion in the [NiFe]-hydrogenase (Po-hung Wang (CUC3)) 2009-11-06 12:00: Stabilizing ordered bicontinuous phases in diblock copolymer systems (Dr Francisco Martinez (CUC3)) 2009-11-13 12:00: Soft effective segment representation of polymer solutions in the semi-dilute regime: homopolymers, diblocks and other applications (Barbara Capone (CUC3)) 2009-11-20 12:00: Modelling bacterial populations in changing environments (Dr Rosalind Allen (Department of Physics, University of Edinburgh)) 2010-01-12 16:00: Chaperonin-assisted protein folding: "The peculiar case of the bacteriophage T4 major capsid protein" (Prof Saskia van der Vies (Vrije Universiteit Amsterdam)) 2010-01-29 12:00: Painleve condensation, counter-ion condensation and Coulombic elasticity of biopolymers (Prof Emmanuel Trizac (Laboratoire de Physique Théorique et Modèles Statistiques, Université Paris-Sud, France)) 2010-02-05 12:00: CANCELLED (Prof Alenka Luzar (Department of Chemistry, Virginia Commonwealth University, USA)) 2010-02-19 12:00: Water: from bulk to interfaces (Prof Giancarlo Franzese, Department of Physics, University of Barcelona) 2010-02-26 12:00: Computing absolute free energies of disordered structures by molecular simulation (Prof Tanja Schilling (University of Luxembourg)) 2010-03-05 12:00: Responsive smart materials from jammed, thick and slow matter (Dr Emanuela Del Gado (ETH Zurich)) 2010-04-16 12:00: Recent developments in multireference quantum chemistry (Dr Yuki Kurashige (Institute for Molecular Science, Okazaki, Japan)) 2010-04-30 12:00: Full configuration interaction quantum Monte Carlo (George Booth (CUC3)) 2010-05-07 12:00: E. coli superdiffusion and chemotaxis (Dr Franziska Matthäus (University of Heidelberg)) 2010-05-14 12:00: Computing the energetic component of the symmetry factor (Christof Drechsel-Grau (CUC3)) 2010-05-21 12:00: Critical depletion (Prof Roberto Piazza (Politecnico di Milano)) 2010-06-10 16:00: Regulation of amyloid self-assembly under partially denaturing solution conditions (Prof Martin Muschol (University of South Florida)) 2010-06-18 12:00: Self-organization of inorganic nanostructures: A polymer scientist approach (Prof. Eugenia Kumacheva (University of Toronto)) 2010-09-24 12:00: Diffusion and viscosity in complex liquids at all length scales (Prof. Robert Holyst (University of Warsaw, Poland)) 2010-10-01 12:00: Electrostatic Interaction between randomly charged objects (Dr Ali Naji (DAMTP)) 2010-10-08 12:00: Spin in Fermion Monte Carlo (Simon Smart (CUC3)) 2010-10-08 12:30: Full configuration interaction quantum Monte Carlo study of the uniform electron gas (James Shepherd (CUC3)) 2010-11-12 12:00: Chemical shift prediction for protein side-chains: from protein skeleton into the skin (Aleksandr Sahakyan (CUC3)) 2010-11-12 12:30: Direct computation of packing entropy of granular materials (Daniel Asenjo (CUC3)) 2010-11-19 12:00: Protein folding landscapes by means of metadynamics simulations (Dr Alessandro Barducci (ETH Zürich)) 2010-11-26 12:00: Coarse-grained and all-atom simulations of protein folding dynamics (Dr Robert Best (CUC3)) 2010-12-03 12:00: Refining force fields for atomistic simulations of protein folding (Robert Best (CUC3)) 2011-02-11 12:00: Matching theory and experiment in primary peptide folding (Dr David de Sancho (CUC3)) 2011-02-25 12:00: What we don't know about nano-assembly for nanomaterials (Prof. Jeremy Baumberg (NanoPhotonics Centre, University of Cambridge)) 2011-03-04 12:00: Calculating acidity constants of manganese oxide (John Kattirtzi (CUC3)) 2011-03-11 12:00: Benchmark studies of ring polymer molecular dynamics rate theory (Thomas Stecher (CUC3)) 2011-04-22 12:00: Self-assembly and hydrodynamics of Janus particles (Prof. Erik Luijten (Northwestern University, USA)) 2011-05-06 12:00: The role of particle size and shape in highly size-asymmetric mixtures (Dr Douglas Ashton (University of Bath, Department of Physics)) 2011-05-27 12:00: Hard sphere crystal growth (Dr Michiel Hermes (University of Utrecht)) 2011-06-10 12:00: Cluster Move Monte Carlo: as good as it sounds? (Mr Thomas Ouldridge (University of Oxford)) 2011-06-17 12:00: Proton-coupled electron transfer from ab initio molecular dynamics (Dr Jun Cheng (CUC3)) 2011-06-24 12:00: Controlling bacterial motors (Prof. Berenike Maier (Univeristy of Cologne)) 2011-09-16 12:00: Tunneling transport in conductor-insulator composites and the role of microstructure (Dr Claudio Grimaldi (EPFL, Switzerland)) 2011-10-07 12:00: Mapping the phase behavior of protein interactions in multicomponent solutions (William Jacobs (CUC3)) 2011-10-14 12:00: Can hydrophobic surfaces catalyze unfolding? (Dr Patrick Varilly (CUC3)) 2011-10-21 12:00: Cooperative dynamics in supercooled liquids (Dr Jacob Stevenson (CUC3)) 2011-10-28 12:00: Ring Polymer Tunnelling Rates and the Connection with Instanton Theory (Adrian Hemmen (CUC3)) 2011-10-28 12:30: Quantum Tunnelling Splittings from Ring-Polymer Instanton Theory (Adam Reid (CUC3)) 2011-11-04 12:00: Theoretical insights into co-translational folding: From pathways to proteomes (Dr Edward O'Brien) 2011-11-16 14:15: Dielectric response of interfacial water (Douwe Jan Bonthuis (Technische Universität München)) 2011-11-18 12:00: Rhodanese folding within the GroEL chaperonin cavity (Anshul Sirur (CUC3)) 2011-11-18 12:30: Improving i-FCIQMC: Reducing the cost using biased sampling (Catherine Overy (CUC3)) 2011-11-25 12:00: Characterisation of RNA dynamics using restrained MD simulations (Aditi Borkar (CUC3)) 2011-11-25 12:30: Self assembly of DNA coated colloids (Matthew Llewellyn-Jones (CUC3)) 2011-12-02 12:00: Electrostatic interactions in binary liquids (Alexandra Dobrinescu (CUC3)) 2012-01-20 12:00: Sampling rare events in non-stationary dynamics (Dr Josh Berryman (University of Luxembourg)) 2012-04-13 12:00: Dynamic order-disorder transitions in a system of self-propelled particles (Dr Vladimir Lobaskin (University College Dublin)) 2012-05-04 12:00: Exploring quantum tunnelling in water clusters using the instanton method (Jeremy Richardson (University of Cambridge)) 2012-05-11 12:00: Statistical mechanics of systems with long-range interactions (Prof. Yan Levin (Instituto de Física, UFRGS Brazil)) 2012-06-15 12:00: The initiator full configuration interaction quantum Monte Carlo method and its application to molecular systems (Deidre Cleland (CUC3)) 2012-07-13 11:30: Self-assembly in simple colloidal systems (Prof. Vinothan Manoharan (Department of Physics, Harvard)) 2012-07-30 14:30: Clusters in the bulk - the topological cluster classification (Dr Paddy Royall (University of Bristol)) 2012-10-12 12:00: Quantum transition state theory? (Tim Hele (CUC3)) 2012-10-12 12:30: Sequence-based predictions of secondary structure populations in disordered proteins (Pietro Sormanni (CUC3)) 2012-10-19 12:00: Investigating tunneling rates using instanton theory (Conan Zhang (CUC3)) 2012-10-19 12:30: Full Configuration Interaction Quantum Monte Carlo for strongly correlated systems (Robert Thomas (CUC3)) 2013-01-18 12:00: The Materials Project for Accelerated Materials Design (Dr Kristin Persson (Lawrence Berkeley National Laboratory)) 2013-03-08 12:00: Driving self assembly and emergent behavior in particle suspensions with magnetic fields (Dr James Martin (Sandia National Laboratories, USA)) 2013-05-10 12:00: On ripples, rafts, and networks - insights from generic models (Prof. Friederike Schmid, Condensed Matter Theory Group, Institute of Physics, University of Mainz, Germany) 2013-05-17 12:00: Ionic Liquids - From DFT to CG Simulations (Prof. Dr. Christian Holm, Institute for Computational Physics, University of Stuttgart, Germany) 2013-05-24 12:00: What can we learn about protein folding from atomistic simulations? (Dr. Robert Best, Laboratory of Chemical Physics, NIDDK, NIH) 2013-06-07 12:00: Experimental-Driven Metadynamics simulations (Dr Carlo Camilloni (University of Cambridge)) 2013-06-14 12:00: Quantum Tunnelling Splittings in Water Clusters, from Ring-Polymer Instanton Theory (Adam Reid, Department of Chemistry, University of Cambridge) 2013-07-05 12:00: Macroscopic Quantum Tunneling in Bose-Einstein Condensates (Prof. Lincoln D. Carr, Department of Physics, Colorado School of Mines, Golden, Colorado, U.S.A.) 2013-10-04 12:00: Using Locally Dense Basis Sets for NMR Shielding Calculations (David Reid, Australian National University, Canberra, Australia) 2013-10-18 15:00: Towards the reconstitution of a minimal cell? (Prof. Marileen Dogeterom, FOM Institute, The Netherlands) 2013-11-15 12:00: Smart inference and its relation with criticality (Jorge Hidalgo - University of Granada, Spain) 2013-11-22 12:00: Biomimetic approaches to cell-cell adhesion, fusion and lipid domain formation (Prof. Jasna Brujic, New York University, Center for Soft Matter Research) 2013-11-29 12:00: Protein folding, unfolding, and ligand docking by generalized-ensemble algorithms (Prof. Yuko Okamoto, Department of Physics, School of Science, Nagoya University) 2013-12-06 12:00: Modeling reactive events in complex systems (Prof. Eric Vanden-Eijnden, Courant Institute, NYU 251, Mercer Street New York, NY, 10012 ) 2013-12-13 12:00: First Passage Time Boxed Molecular Dynamics (Boris Fackovec (University of Cambridge), Wales Group) 2014-01-17 12:00: Coarse-grained modelling of RNA and DNA (Petr Sulc, Rudolf Peierls Centre for Theoretical Physics, Oxford, UK) 2014-01-31 12:00: High-dimensional random landscapes and random matrices (Prof. Yan Fyodorov, School of Mathematical Sciences, Queen Mary University of London, UK) 2014-03-07 12:00: Folding of RNA tetraloop hairpins using Discrete Path Sampling (Debayan Chakraborty, University of Cambridge, Department of Chemistry, Cambridge, UK) 2014-03-21 12:00: Clustering, Phase Separation and Tricriticality of an Ultrasoft Model of Polyelectrolytes (Professor Jean-Pierre Hansen) 2014-05-02 12:00: Embedded correlation within strongly correlated materials (Dr. George Booth, Department of Chemistry, University of Cambridge) 2014-05-23 12:00: Chemical applications of Density Matrix Renormalization Group (Dr. Sandeep Sharma, Princeton University) 2014-05-30 12:00: Thermodynamics of Dissipative Self-Assembly (Dr. ing. Ger J. M. Koper, Delft University of Technology, The Netherlands) 2014-06-06 12:00: Chaperone-guided protein folding at the single-molecule level (Prof. Sander Tans, Delft University of Technology, The Netherlands) 2014-06-13 12:00: Molecular origins of "internal friction" in protein folding (Dr. David de Sancho, Department of Chemistry, University of Cambridge) 2014-10-10 12:00: Computational analyses of RNA repeat expansions causing genetic disease (Dr. Ilyas Yildirim, Deparment of Chemistry, University of Cambridge) 2014-10-24 12:00: Packing polyhedra: from ancient math to advanced materials (Dr. Daphne Klotsa, Department of Chemistry, University of Cambridge) 2014-10-31 13:00: High-dimensional surprises near the glass and the jamming transitions (Prof. Patrick Charbonneau, Department of Chemistry, Duke University, Durham, NC 27708-0354) 2014-11-07 12:00: Entropic Utopia: Shaping disorder for targeted self-assembly (Pablo F. Damasceno, University of Michigan, Ann Arbor, Michigan, USA) 2014-11-14 12:00: Electric double layers at metal oxide water interfaces and their effect on electrocatalysis. (Prof. Michiel Sprik, Department of Chemistry, University of Cambirdge) 2014-11-21 12:00: Exotic morphologies of highly charged solvated macromolecules (Prof. Styliani Constas, Department of Chemistry, The University of Western Ontario London, ON N6A 5B7 CANADA) 2014-12-05 12:00: GPU acceleration of basin hopping global optimisation: towards a fast and accurate method of predicting binding free energies of macromolecules (Rosemary G. Mantell, Department of Chemistry, Cambridge (Wales' group)) 2015-01-16 12:00: Application of normal forms and TST to the reaction dynamics of quantum wave packets (Dr. Andrej Junginger, University of Stuttgart, Institute of Theoretical Physics, Stuttgart, Germany) 2015-01-23 12:00: Computer simulations of thermally induced electric fields in water. (Peter Wirnsberger, Deparment Chemistry, University of Cambridge (Frenkel Group)) 2015-01-30 12:00: Reconsidering old questions with new simulation techniques: Fluctuations and Frank constants in polymeric liquid crystals (Dr. Kostas Daoulas, Max Planck Institute for Polymer Research, Mainz, Germany) 2015-02-06 12:00: Nanoparticle growth and Ostwald ripening: aggregate growth, size distributions, and the breakdown of scaling (Prof. Dr. Juergen Vollmer, Max Planck Institute for Dynamics and Self-Organization (MPIDS), Goettingen, Germany) 2015-02-13 13:00: Quasicrystals, Charge Ordering and the Quantum Hall Effect (Felix Flicker, University of Bristol) 2015-02-20 13:00: A back-stage tour of polymer phase behavior with self-consistent field theory (Nicholas Tito, University of Cambridge) 2015-02-27 13:00: Quantifying the Entropy of Binding for Water Molecules In Protein Cavities by Computing Correlations (David Huggins, University of Cambridge) 2015-03-06 13:00: Neurotransduction mechanism via GPCRs: alpha helix, the smallest spring in nature (Sinisa Vukovic, University of Cambridge) 2015-03-13 13:00: Solving the Hartree-Fock equations using the finite element method (Michael Herbst) 2015-04-24 14:15: How to combine quantum Boltzmann statistics with classical mechanics (Tim Hele, University of Cambridge) 2015-05-08 14:00: Natural Nanotechnology (aka Can iPods Grow on Trees?) (Chris Forman, University of Cambridge) 2015-05-11 14:15: Role of Pair and Higher Order Correlations in Entropy and Dynamics of Glass Forming Systems (Sarika Bhattacharyya, National Chemical Laboratory, Pune, India) 2015-05-18 14:15: Modeling Molecular Solvation using Multiscale Continuum Theory and Fast Computational Algorithms (Jaydeep Barchan, Northeastern University) 2015-05-22 13:00: The stress ensemble for granular packings (Silke Henkes, University of Aberdeen) 2015-05-29 14:15: Density Embedding Methods: Quality Control and Efficiency for Large Metal Clusters (Dr. Judith B. Rommel, Department of Chemistry, University of Cambridge) 2015-06-05 14:15: How to beat biology: fine-tuning mechanical and structural properties on the macroscale through programmable nanomaterials (David Smith, Fraunhofer Institute for Cell Therapy and Immunology, Leipzig.) 2015-09-11 13:30: Using Surfaces to Direct Microphase Separation (Clarion Tung (Department of Chemistry, Columbia University)) 2015-10-09 12:00: Sampling of RNA folding pathways (Tristan Cragnolini) 2015-10-14 14:15: Hierarchical propagation of chirality through reversible polymerization: the cholesteric phase of DNA oligomers (Cristiano De Michele, University of Rome "La Sapienza") 2015-10-16 12:00: Novel Ways of Understanding Chemical Space Applied to Screening Library Design (Stephanie Ashenden) 2015-10-16 12:20: Supercooled Dynamics and Potential Energy Landscape of a Molecular Glass-Former (Sam Niblett) 2015-10-23 12:00: Quantum Monte Carlo without breaking the bank? (Robert Thomas) 2015-11-13 12:00: The Exact Functional (Aron Cohen (University of Cambridge)) 2015-11-20 12:00: Atomistic and Locally Rigidified Energy Landscapes for Protein Folding (Jerelle Joseph) 2015-11-20 12:20: How does Evolution affect Protein Structure Prediction? (Emmy Qin) 2015-11-27 12:00: Modelling Collective Behaviours of Bacterial Colonies (Matthew Griffiths) 2015-11-27 12:20: Linked Coupled Cluster Monte Carlo (Ruth Franklin) 2016-01-15 12:00: Atom Tunnelling as a General Phenomenon in Chemistry: from the Interstellar Medium to Enzymes (Johannes Kaestner (Institute for Theoretical Chemistry, University of Stuttgart)) 2016-01-22 14:00: The Phase Behavior of Deeply Supercooled Water: a Computational Perspective (Pablo Debenedetti (Professor in Engineering and Applied Science and Dean for Research of Princeton University)) 2016-01-29 12:00: Using explicit correlation with FCIQMC (Jennifer Kersten) 2016-02-12 12:00: ExoMol project: Molecular line lists for exoplanet and other hot atmospheres (Sergey Yurchenko) 2016-02-19 12:00: Analysis of bonding patterns and reactivity in molecular systems exhibiting partial biradical character (Dr. Sotiris Xantheas, Pacific Northwest National Laboratory) 2016-03-04 12:00: Computer-Aided Rational Drug Design for Alzheimer’s Disease (Professor Donald F. Weaver, University of Toronto) 2016-04-22 12:00: Assessment of broad-spectrum in vitro screening for toxicity profiling: Bioactivity space of target focussed and phenotypic assays (Samar Mahmoud) 2016-04-22 12:20: Mechanism-of-action analysis of structurally and biologically similar compounds (Azedine Zoufir) 2016-05-06 12:00: DFT study of oxygen vacancies in pure and doped ceria for chemical looping reforming (Dr Rachel Kerber (Grey Group)) 2016-05-13 12:00: In-Silico Prediction of Bioactive Small Molecules (Avid Afzal (University of Cambridge)) 2016-05-20 12:00: Simple microscopic models of complex systems (Professor Jeremy Schofield (University of Toronto)) 2016-05-27 12:00: How bonding topology affects polyacene spectra: design principles for singlet fission chromophores (Timothy Hele) 2016-06-03 12:00: Theoretical advances in aqueous ion solvation: Charge asymmetry (Dr Stephen J. Cox - University of California, Berkeley, College of Chemistry) 2016-06-10 12:00: Semi-stochastic and excited-state approaches in FCIQMC (Nicholas Blunt (Chemistry)) 2016-06-29 14:00: The origin of anomalously high melting temperatures in gallium clusters (Nicola Gaston, University of Auckland) 2016-08-30 12:00: Quantum dynamics in condensed phase using the non-perturbative hierarchical equations of motion approach (Qiang Shi, Institute of Chemistry, Chinese Academy of Sciences) 2016-10-07 12:00: Stochastic Coupled Cluster Theory (Alex Thom (University of Cambridge)) 2016-10-14 12:00: Energy Landscape Landscaping (Konstantin Roeder (University of Cambridge)) 2016-10-14 12:20: Applying Stochastic Coupled Cluster Theory to the Solid State (Charlie Scott (University of Cambridge)) 2016-10-28 12:00: Synthesis and Analysis of Nanobody Sequence and Structure Data (Laura Mitchell (University of Cambridge)) 2016-10-28 12:20: Stochastic Coupled Cluster in Model Solid Systems (Verena Neufeld (University of Cambridge)) 2016-11-04 12:00: Predictive Multiscale Modelling: Multidisciplinary Challenges for the Future of Computational Chemistry (Dr. Judith B. Rommel (University of Cambridge)) 2016-11-11 12:00: Lattice models for DNA origami self-assembly (Alexander Cumberworth (University of Cambridge)) 2016-11-11 12:20: Mapping the molecular landscape of disease (Erin Oerton (University of Cambridge)) 2016-11-18 12:00: Insights into compound mode-of-action by exploring gene expression space (Benjamin Alexander-Dann (University of Cambridge)) 2016-11-18 12:20: Development of the first proteochemometric model to understand the selectivity of bromodomains for small molecule inhibitors (Kathryn Giblin (University of Cambridge)) 2016-11-25 12:00: Network Properties of Atomic Clusters (John Morgan (University of Cambridge)) 2016-11-30 16:30: Theoretical Chemistry Informal Symposium (Fatima Baldo & Nadia Petersen) 2017-06-23 12:00: Unlocking new potentials: Incorporating atomic-level anisotropy and improved radial dependencies into simple intermolecular force fields (Mary Van Vleet, University of Wisconsin-Madison) 2019-04-29 14:15: Molecular Theory of Ion Transport through Liquid-Liquid Interfaces (Professor Akihiro Morita, Tohoku University) 2019-08-05 14:00: Dispersion Interactions in Density-Functional Theory and Application to Molecular Crystal-Structure Prediction (Professor Erin Johnson, Dalhousie University) 2022-12-14 14:30: Some new perspectives on old problems: From water to materials and back again. (Professor Michael Klein, Temple University) 2023-05-18 11:00: Transcorrelated method for periodic systems (Professor Masayuki Ochi, Osaka University Japan) 2023-05-31 14:30: In Search of Coulson's Lost Theorem (Professor Patrick Fowler, University of Sheffield) 2023-09-14 14:00: Illuminating the Quantum Dynamics in Photoelectrochemistry (Dr Thomas Sayer, University of Colorado Boulder) 2023-10-13 11:00: Chemicals and fuels from CO2 via thermo and electrochemical routes: Insights from quantum chemistry (Prof. Felix Studt, Karlsruhe Institute of Technology) 2023-11-20 11:00: Towards Operando Modelling of Zeolites (Dr. Christopher Heard, Charles University) 2023-12-12 15:00: Computational Roadmap of Emerging Materials: Implications of Piezochromism and Rashba Phenomena (Dr Sudip Chakraborty, Harish-Chandra Research Institute Allahabad) 2024-05-29 14:30: Adaptive Hybrid Density Functionals (Dr Alastair Price, University of Toronto) 2025-06-04 14:30: An Introduction to Neurodiversity (Dr Scott Gorman) 2025-06-13 14:30: Layered Electrides: What They Are, What They Do, and What Can They Do (Adrian Rumson, Dalhousie University) 2025-07-14 14:00: Computational Electrochemistry in Atomic scale: A brief history, applications and current stage of its development (Dr. Seung-Jae Shin School of Energy and Chemical Engineering, UNIST) 2025-11-18 14:30: Using generative models to avoid rare events: insight into the thermodynamics of polymorphism without sampling phase transitions (Professor Matteo Salvalaglio University College London) 2026-03-25 15:30: Generative Molecular Dynamics (Prof. Simon Olsson, Chalmers University of Technology) 2026-04-01 11:00: Developing biomolecular force fields in the machine learning age (Dr Joe Greener, MRC Laboratory of Molecular Biology) 2026-04-21 15:00: Title to be confirmed (Professor Srikanth Sastry)