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Related publications (453)
Method for preparing an at least partially acetal-protected sugar
Jeremy Luterbacher, Songlan Sun, Lorenz Perry Manker, Anastasiia Komarova
The present invention relates to a method for preparing an at least partially acetal-protected sugar involving the step of reacting a sugar or a sugar derivative selected from the group consisting of an aldopentose, an aldohexose, an aldopentoside and an a ...
2024Tool Developments in the OpenMC Code: Correlated Sampling and Transient Fission Matrix Approach Coupled to OpenFOAM
Axel Guy Marie Laureau, Elsa Merle
This article outlines the advancements made in broadening the application scope of the OpenMC neutron transport code to include thermohydraulic coupling and nuclear data uncertainty propagation. These developments primarily involve the incorporation of the ...
Taylor & Francis Inc2024Light-Controlled Multiconfigurational Conductance Switching in a Single 1D Metal-Organic Wire
Precise control of multiple spin states on the atomic scale presents a promising avenue for designing and realizing magnetic switches. Despite substantial progress in recent decades, the challenge of achieving control over multiconfigurational reversible s ...
Amer Chemical Soc2024Nanolithography of the nanocorral structure of chemisorbed oxygen atoms on the graphitic lattice
Kumar Varoon Agrawal, Shaoxian Li
Controlled atomic patterning is an attractive tool to fine tune properties of graphitic lattice. Several O-functionalized derivatives of graphitic lattice have been widely studied, e.g., graphene oxide, reduced graphene oxide, and functionalized carbon nan ...
Oxford2024Magic Angle Spinning Solid-State 13C Photochemically Induced Dynamic Nuclear Polarization by a Synthetic Donor-Chromophore-Acceptor System at 9.4 T
David Lyndon Emsley, Michael Allan Hope, Federico De Biasi, Máté Visegrádi
Solid-state photochemically induced dynamic nuclear polarization (photo-CIDNP) is a nuclear magnetic resonance spectroscopy technique in which nuclear spin hyperpolarization is generated upon optical irradiation of an appropriate donor-acceptor system. Unt ...
Amer Chemical Soc2024Gas/Surface reactions probed by reflection absorption infrared spectroscopy
In my thesis, I present an investigation of the dissociation reactions of gas phase molecules on single crystal metal surfaces studied by a molecular beam in combination with Reflection Absorption Infrared Spectroscopy (RAIRS). Two gas/surface systems were ...
EPFL2023Robustness of Local Predictions in Atomistic Machine Learning Models
Michele Ceriotti, Federico Grasselli, Sanggyu Chong, Chiheb Ben Mahmoud
Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is convenient from a computational perspective, enabling large-scale ML-driven si ...
Washington2023Atomic scale volume and grain boundary diffusion elucidated by in situ STEM
Johann Michler, Xavier Maeder, Laszlo Pethö, Amit Sharma
Diffusion is one of the most important phenomena studied in science ranging from physics to biology and, in abstract form, even in social sciences. In the field of materials science, diffusion in crystalline solids is of particular interest as it plays a p ...
Berlin2023Investigating the impact of the molecular charge-exchange rate on detached SOLPS-ITER simulations
Basil Duval, Holger Reimerdes, Christian Gabriel Theiler, Kevin Henricus Annemarie Verhaegh
Plasma-molecular interactions generate molecular ions which react with the plasma and contribute to detachment through molecular activated recombination (MAR), reducing the ion target flux, and molecular activated dissociation (MAD), both of which create e ...
IOP Publishing Ltd2023Erbium and thulium on MgO(100)/Ag(100) as candidates for single atom qubits
Harald Brune, François Patthey, Stefano Rusponi, Marina Pivetta, Edgar Fernandes, Fabio Donati, Aparajita Singha
Lanthanide atoms on surfaces are an exceptional platform for atomic-scale magnetic information storage. However, their potential as qubits remains unexplored due to the limited number of experimental setups that can coherently drive the spins of single ada ...
AMER PHYSICAL SOC2023