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Thanks to the Royal Society of Chemistry Statistical Mechanics and Thermodynamics Group for sponsoring the Poster Session

Michelle Anderson "Relaxation and Reaction Pathways with Quantum Master Equations and Transition Path Theory"

Dr Itay Azizi "Depletion forces in mixtures of non spherical particles"

Dr Fabian Berger "Bringing Reactants Together: Synergistic Co-Adsorption at Dopant Sites of Single Atom Alloys" 

Choy Boy "Energy Landscapes of Variational Quantum Algorithms"

Dr Vanessa J. Bukas "Exploring mesoscopic mass transport effects  in electrocatalytic selectivity"

Patrick Butler "Machine Learned Potentials by Active Learning from Organic Crystal Structure Prediction Landscapes" 

Jonathan Coldstream "'The behaviour of gradient copolymers at the liquid-liquid interface"

Dr Elias Diesen "Studying Electrochemical Activity and Selectivity Using ab initio Molecular Dynamics: The Oxygen Reduction Reaction on Au(111)"   

Dr Kara Fong "Ion transport in nanoconfined electrolyte solutions"

Dr Duncan Gowland "Ion-trap quantum computations of CF4+ fragmentation using InQuanto"

Professor Amy Graves "Simulations of jammed, sheared particles among fixed pins"

Christopher Haggard "Realistic simulations of IR spectra using Path-Integrals"

Dr Angela Harper “Machine Learned Electric Field Gradient Tensors”

Hamidreza Hassanloo "The Power of Integration: Machine Learning and Molecular Approaches for Properties Discovery"

Dr Hendrik Heenan "Graphene Growth on Liquid Metal Catalysts via Machine-Learning Interatomic Potentials"

Kristina Herman "Development of a transferable classical model to accurately describe many-body effects in aqueous ionic systems"

Dr Nicolas Hörmann "Rationalising Electrochemistry from Controlled Atomistic Simulations" 

Dr Jan Huertas "The pioneer transcription factor Oct4 alters chromatin packing"

Dr Hyunwook Jung "Machine-Learning Driven Global Optimization of Surface Adsorbate Geometries"

Dr Yair Litman "Surface-Sensitive Spectroscopy from First Principles"

Jeet Majumdar "Structure, dynamics and dielectric profile of monolayer of water confined in the slit-pore of twisted bilayer graphene"

Maria Julia Maristany "The molecular rules of Prion-Like Domain phase separation"

Haseem Deen Mohamed Sarif Mohamed Iqbal "Designing an Advanced Cancer Therapeutic Protein (GABPA Binding Inhibitor) Using Basin-Hopping Global Optimisation"

Nicy "Emergent properties of peptides using energy landscape"

Yuthika Pillai "Understanding symmetry breaking in benzene using SCF landscapes for electronic structure"

Amanda Ribeiro Guimaraes "In Silico Assessment of Novel Polyelectrophylic Chemistry Agents"

Moritz Schäffler "Conformation switching of Abeta42: Transition Network Analysis"

Chinmay Shrikhande "Quantum Error Mitigation for Projection based Quantum Algorithm for evaluating Molecular Energetics"

Ilija Srpak "Path Integral Approaches to Spin-Phonon Coupled Systems"

Patryk Wesołowski "Energy landscapes for proteins described by the UNRES (UNited RESidue) coarse-grained potential"

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Upcoming Monday Seminars

There are no upcoming talks currently scheduled in this series.