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High-throughput model for site-specific investigation of alkali metal-based catalysts
Andi Balaj
Chalmers University of Technology
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Understanding thermal transport for wide band gap systems in the La-Sb-O series
Jack Beattie
University of Birmingham
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Electric bubbles for unconventional computing
Manjunath Raj Betha
Luxembourg Institute of Science and Technology
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Optical properties of defects in amorphous phase-change memory materials
Biswarup Biswas
University of Turku
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Machine-learning potentials for finite-temperature simulations of polarons
Sofia Cellini
Chalmers University of Technology
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Disorder in copper chalcogenide photovoltaics
Philippa Cox
University of Birmingham
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Electrochemical conversion of lignin on metals and metal oxides
Alvaro de la Fuente
Chalmers University of Technology
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Dimensionality dependence of charge localization in tin halide perovskites
Krishna Lyn Delima
Chalmers University of Technology
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DFT analysis of Ni doping in Co3O4
Aybuke Gulkaya
Eindhoven University of Technology
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Physics-informed neural networks for phonon transport modelling in thermal interface binding materials
Pontus Gustafsson
Chalmers University of Technology
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Novel ternary compounds (M-C-N) featuring direct semiconducting band gaps and high charge carrier mobility
Nityasagar Jena
Linköping University
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Modelling of grain boundaries and extended defects in metal halide perovskites using machine-learning potentials and DFTB
Junke Jiang
University of York
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Development of a non-polarizable protein force field from scratch using dimer interaction energies
Julian Köngeter
Uppsala University
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Parameterization of an ACE potential to investigate transitions in the phosphorus phase diagram
Eric Kull
Malmö University
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Modelling hydrogen storage on 2D carbon platforms with universal MLIPs
Luis Martín Encinar
University of Valladolid
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Mind the coverage gap: the crucial importance of the pH- and potential-dependent surface coverage in oxygen reduction electrocatalysis
Kayvan Moradi
University of Jyväskylä
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Distinguishing polarons from neutral band-edge localizations
Kelmend Muriqi
Chalmers University of Technology
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Can protopeptides form from hydrogen cyanide?
Mark Ely Namoro
Chalmers University of Technology
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Machine-learned interatomic potentials for modelling water splitting on ferroelectric surfaces
David Ndrio de Carvalho
Luxembourg Institute of Science and Technology
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A foundational machine-learned atomistic energy surface for perovskites
Jacob Olsson
Chalmers University of Technology
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Controlling the phase behaviour of ultraconfined water via bi-layer graphene stacking
Yixuan Pu
University College London
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From electronic structure to excitonic properties: first-principles studies of chiral quantum materials
Sreeparvathy Puthiya Covilakam
Eindhoven University of Technology
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Electromagnetic wave propagation in coralline algae skeletons: are they natural photonic crystals?
Cristian Ramirez Gutierrez
Umeå University
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Investigating PEG Shedding in Lipid Nanoparticles through Coarse Grained PMF Simulations
Virginia Ramos
Chalmers University of Technology
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Systematic increase of force field accuracy using the Alexandria Chemistry Toolkit
Måns Rosenbaum
Uppsala University
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Unsupervised discovery of electronic fine structure in ferroic topologies via disentangling autoencoders
Issa Saddiq
Imperial College London
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Theoretical investigation of ordering-dependent phase transitions in lead scandium tantalate
Nils Andre Schäfer
Luxembourg Institute of Science and Technology
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Modeling of the proton conductivity in MOF-based proton exchange membranes
Flavian Stavarache
Eindhoven University of Technology
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Machine-learned interatomic potentials of ZrO2-based solid solutions for energy storage
Anurag Verma
Luxembourg Institute of Science and Technology
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Anisotropic defect diffusion in halide perovskites
Konrad Wilke
Eindhoven University of Technology
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Discovery of vacancy-stabilized materials: a universal machine learning potential approach
Suhas Yadav
University of Oulu
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On the chirality-controlled growth of single-walled carbon nanotubes through seeding
Kim-Jonas Ylivainio
Luleå University of Technology
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Achieving fast and reliable phase-change memory via heterogeneous coherent interfaces
Tian-Yu Zhao
Eindhoven University of Technology
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