Thomas Linker
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View article: Multiscale Light-Matter Dynamics in Quantum Materials: From Electrons to Topological Superlattices
Multiscale Light-Matter Dynamics in Quantum Materials: From Electrons to Topological Superlattices Open
View article: Our team of physicists inadvertently generated the shortest X-ray pulses ever observed
Our team of physicists inadvertently generated the shortest X-ray pulses ever observed Open
View article: Multiscale light-matter dynamics in quantum materials: from electrons to topological superlattices
Multiscale light-matter dynamics in quantum materials: from electrons to topological superlattices Open
Light-matter dynamics in topological quantum materials enables ultralow-power, ultrafast devices. A challenge is simulating multiple field and particle equations for light, electrons, and atoms over vast spatiotemporal scales on Exaflop/s …
View article: Attosecond inner-shell lasing at ångström wavelengths
Attosecond inner-shell lasing at ångström wavelengths Open
Since the invention of the laser, nonlinear effects such as filamentation1, Rabi cycling2,3 and collective emission4 have been explored in the optical regime, leading to a wide range of scientific and indus…
View article: Observation of Multiplet Lines in Seeded Stimulated Mn Kα1 X-ray Emission
Observation of Multiplet Lines in Seeded Stimulated Mn Kα1 X-ray Emission Open
We report the successful resolution of the multiplet structure of the Kα1 x-ray emission in manganese (Mn) complexes through seeded stimulated X-ray emission spectroscopy (seeded S-XES). By employing a femtosecond pump pulse above the Mn K…
View article: Catalysis in Extreme Field Environments: A Case Study of Strongly Ionized SiO<sub>2</sub> Nanoparticle Surfaces
Catalysis in Extreme Field Environments: A Case Study of Strongly Ionized SiO<sub>2</sub> Nanoparticle Surfaces Open
High electric fields can significantly alter catalytic environments and the resultant chemical processes. Such fields arise naturally in biological systems but can also be artificially induced through localized nanoscale excitations. Recen…
View article: Attosecond Inner-Shell Lasing at Angstrom Wavelengths
Attosecond Inner-Shell Lasing at Angstrom Wavelengths Open
Since the invention of the laser nonlinear effects such as filamentation, Rabi-cycling and collective emission have been explored in the optical regime leading to a wide range of scientific and industrial applications. X-ray free electron …
View article: Tracking surface charge dynamics on single nanoparticles
Tracking surface charge dynamics on single nanoparticles Open
Surface charges play a fundamental role in physics and chemistry, in particular in shaping the catalytic properties of nanomaterials. However, tracking nanoscale surface charge dynamics remains challenging due to the involved length and ti…
View article: Catalysis in Extreme Field Environments: The Case of Strongly Ionized $SiO_{2}$ Nanoparticle Surfaces
Catalysis in Extreme Field Environments: The Case of Strongly Ionized $SiO_{2}$ Nanoparticle Surfaces Open
High electric fields can significantly alter catalytic environments and the resultant chemical processes. Such fields arise naturally in biological systems but can also be artificially induced through localized excitations at nanoscale. Re…
View article: Neutron scattering and neural-network quantum molecular dynamics investigation of the vibrations of ammonia along the solid-to-liquid transition
Neutron scattering and neural-network quantum molecular dynamics investigation of the vibrations of ammonia along the solid-to-liquid transition Open
View article: Tracking Surface Charge Dynamics on Single Nanoparticles
Tracking Surface Charge Dynamics on Single Nanoparticles Open
Tracing the dynamical behavior of light-induced surface charges on nanostructures is pivotal for elucidating the fundamental processes governing catalysis and light-nanomaterial interactions. Extension to nanoscale surface charge dynamics,…
View article: Surface Transfer Doping in MoO<sub>3–<i>x</i></sub>/Hydrogenated Diamond Heterostructure
Surface Transfer Doping in MoO<sub>3–<i>x</i></sub>/Hydrogenated Diamond Heterostructure Open
Surface transfer doping is proposed to be a potential solution for doping diamond, which is hard to dope for applications in high-power electronics. While MoO3 is found to be an effective surface electron acceptor for hydrogen-t…
View article: Tracking Surface Charge Dynamics on Single Nanoparticles
Tracking Surface Charge Dynamics on Single Nanoparticles Open
Surface charges play a fundamental role in physics and chemistry, particularly in shaping the catalytic properties of nanomaterials. Tracking nanoscale surface charge dynamics remains challenging due to the involved length and time scales.…
View article: INS spectra of NH3 and ND3 obtained at SEQUOIA spectrometer
INS spectra of NH3 and ND3 obtained at SEQUOIA spectrometer Open
These INS data were measured at SEQUOIA spectrometer. The samples used were NH3 and ND3, and empty container (background runs). The measurements were done with incident neutron energies Ei=30, 50, 85, 280 and 700 meV at T=5K, 50K, 100K, 18…
View article: Diabetes Risk Factors and Bone Microarchitecture as Assessed by High-Resolution Peripheral Quantitative Computed Tomography (HR-pQCT) in Adults with Long-standing Type 1 Diabetes
Diabetes Risk Factors and Bone Microarchitecture as Assessed by High-Resolution Peripheral Quantitative Computed Tomography (HR-pQCT) in Adults with Long-standing Type 1 Diabetes Open
Objective: To determine whether type 1 diabetes and its complications are associated with bone geometry and microarchitecture.Research Design and Methods: Cross-sectional study embedded in a long-term observational study. High-resolution p…
View article: Diabetes Risk Factors and Bone Microarchitecture as Assessed by High-Resolution Peripheral Quantitative Computed Tomography (HR-pQCT) in Adults with Long-standing Type 1 Diabetes
Diabetes Risk Factors and Bone Microarchitecture as Assessed by High-Resolution Peripheral Quantitative Computed Tomography (HR-pQCT) in Adults with Long-standing Type 1 Diabetes Open
Objective: To determine whether type 1 diabetes and its complications are associated with bone geometry and microarchitecture.Research Design and Methods: Cross-sectional study embedded in a long-term observational study. High-resolution p…
View article: Tailoring the Angular Mismatch in MoS<sub>2</sub> Homobilayers through Deformation Fields
Tailoring the Angular Mismatch in MoS<sub>2</sub> Homobilayers through Deformation Fields Open
Ultrathin MoS 2 has shown remarkable characteristics at the atomic scale with an immutable disorder to weak external stimuli. Ion beam modification unlocks the potential to selectively tune the size, concentration, and morphology of defect…
View article: Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization
Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization Open
Neural-network quantum molecular dynamics (NNQMD) simulations based on machine learning are revolutionizing atomistic simulations of materials by providing quantum-mechanical accuracy but orders-of-magnitude faster, illustrated by ACM Gord…
View article: Training Data From : "Squishing skyrmions: symmetry guided dynamic transformation of polar topologies under compression"
Training Data From : "Squishing skyrmions: symmetry guided dynamic transformation of polar topologies under compression" Open
Zip file contains folder of training data in XSF Format .nn files are neural network binary parameter files .nn_asc files neural network parameter text files .nn files were generated and can be read by the AENET software (http://ann.atomis…
View article: Training Data From : "Squishing skyrmions: symmetry guided dynamic transformation of polar topologies under compression"
Training Data From : "Squishing skyrmions: symmetry guided dynamic transformation of polar topologies under compression" Open
Zip file contains folder of training data in XSF Format .nn files are neural network binary parameter files .nn_asc files neural network parameter text files .nn files were generated and can be read by the AENET software (http://ann.atomis…
View article: Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires
Towards computational polar-topotronics: Multiscale neural-network quantum molecular dynamics simulations of polar vortex states in SrTiO3/PbTiO3 nanowires Open
Recent discoveries of polar topological structures ( e.g ., skyrmions and merons) in ferroelectric/paraelectric heterostructures have opened a new field of polar topotronics. However, how complex interplay of photoexcitation, electric fiel…
View article: Exploring far-from-equilibrium ultrafast polarization control in ferroelectric oxides with excited-state neural network quantum molecular dynamics
Exploring far-from-equilibrium ultrafast polarization control in ferroelectric oxides with excited-state neural network quantum molecular dynamics Open
Ferroelectric materials exhibit a rich range of complex polar topologies, but their study under far-from-equilibrium optical excitation has been largely unexplored because of the difficulty in modeling the multiple spatiotemporal scales in…
View article: Probing the presence and absence of metal-fullerene electron transfer reactions in helium nanodroplets by deflection measurements
Probing the presence and absence of metal-fullerene electron transfer reactions in helium nanodroplets by deflection measurements Open
Electrostatic deflection of a beam of helium nanodroplets containing fullerenes and metal atoms reveals whether these dopants are able to form charge-transfer complexes.
View article: MISTIQS: An open-source software for performing quantum dynamics simulations on quantum computers
MISTIQS: An open-source software for performing quantum dynamics simulations on quantum computers Open
View article: Simultaneous Observation of Carrier-Specific Redistribution and Coherent Lattice Dynamics in 2H-MoTe<sub>2</sub> with Femtosecond Core-Level Spectroscopy
Simultaneous Observation of Carrier-Specific Redistribution and Coherent Lattice Dynamics in 2H-MoTe<sub>2</sub> with Femtosecond Core-Level Spectroscopy Open
We employ few-femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy to reveal simultaneously the intra- and interband carrier relaxation and the light-induced structural dynamics in nanoscale thin films of layered 2H-MoTe…
View article: Domain-specific compilers for dynamic simulations of quantum materials on quantum computers
Domain-specific compilers for dynamic simulations of quantum materials on quantum computers Open
Simulation of the dynamics of quantum materials is emerging as a promising scientific application for noisy intermediate-scale quantum (NISQ) computers. Due to their high gate-error rates and short decoherence times, however, NISQ computer…
View article: Simultaneous Observation of Carrier-Specific Redistribution and Coherent\n Lattice Dynamics in 2H-MoTe$_{2}$ with Femtosecond Core-Level Spectroscopy
Simultaneous Observation of Carrier-Specific Redistribution and Coherent\n Lattice Dynamics in 2H-MoTe$_{2}$ with Femtosecond Core-Level Spectroscopy Open
We employ few-femtosecond extreme ultraviolet (XUV) transient absorption\nspectroscopy to reveal simultaneously the intra- and interband carrier\nrelaxation and the light-induced structural dynamics in nanoscale thin films of\nlayered 2H-M…
View article: Simultaneous Observation of Carrier-Specific Redistribution and Coherent Lattice Dynamics in 2H-MoTe$_{2}$ with Femtosecond Core-Level Spectroscopy
Simultaneous Observation of Carrier-Specific Redistribution and Coherent Lattice Dynamics in 2H-MoTe$_{2}$ with Femtosecond Core-Level Spectroscopy Open
We employ few-femtosecond extreme ultraviolet (XUV) transient absorption spectroscopy to reveal simultaneously the intra- and interband carrier relaxation and the light-induced structural dynamics in nanoscale thin films of layered 2H-MoTe…
View article: Towards simulation of the dynamics of materials on quantum computers
Towards simulation of the dynamics of materials on quantum computers Open
A highly anticipated application for quantum computers is as a universal\nsimulator of quantum many-body systems, as was conjectured by Richard Feynman\nin the 1980s. The last decade has witnessed the growing success of quantum\ncomputing …
View article: Domain-Specific Compilers for Dynamic Simulations of Quantum Materials on Quantum Computers
Domain-Specific Compilers for Dynamic Simulations of Quantum Materials on Quantum Computers Open
Simulation of the dynamics of quantum materials is emerging as a promising scientific application for noisy intermediate-scale quantum (NISQ) computers. Due to their high gate-error rates and short decoherence times, however, NISQ computer…