Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of GothenburgSE951 papers
- Centre National de la Recherche ScientifiqueFR805 papers
- Leiden UniversityNL590 papers
- Max Planck Institute for Radio AstronomyDE405 papers
- European Southern ObservatoryCL356 papers
- Center for Astrophysics Harvard & SmithsonianUS313 papers
- Leiden Observatory304 papers
- California Institute of TechnologyUS296 papers
- National Astronomical Observatory of JapanJP280 papers
- Observatoire de ParisFR268 papers
- Stockholm UniversitySE262 papers
- Centro de AstrobiologíaES252 papers
261 papers · 1 filter
First-principle study of the influence of hydroxyapatite on magnesium surfaces
Anthony Veit Berg, Ablai Forster, Tim Hansson +3
Hydroxyapatite (HA) on a magnesium (Mg) surface is studied using density functional theory, to help understand the effect of HA coating and alloying in the surfaces of Mg-based bio…
Towards an understanding of magnesium in a biological environment: A density functional theory study
Miranda Naurin, Sally Aldhaim, Moltas Elliver +3
Density functional theory is used to investigate the interactions between a layer of magnesium hydroxide, Mg(OH)2, the magnesium (Mg) surface Mg(0001), and the three amino acids gl…
A density functional theory study of amino acids on Mg and Mg-based alloys
John Bolin, Amanda Goold, Olof Hildeberg +2
Magnesium (Mg) has mechanical properties similar to bone tissue, and Mg ions take part in the metabolism. This makes Mg of interest for biocompatible degradable body implants, prov…
Massive Discovery of Low-Dimensional Materials from Universal Computational Strategy
Mohammad Bagheri, Ethan Berger, Hannu-Pekka Komsa +1
Low-dimensional materials have attractive properties that drive intense efforts for novel materials discovery. However, experiments are tedious for systematic discovery, and presen…
Scaling Nanoribbon Transistors with Monolayer Transition Metal Dichalcogenides
Tara Peña, Anton E. O. Persson, Andrey Krayev +13
Nanoscale transistors require aggressive reduction of all channel dimensions: length, width, and thickness. While monolayer two-dimensional semiconductors (2DS) offer ultimate thic…
Role of defects in atom probe analysis of sol-gel silica
Gustav Eriksson, Matteo De Tullio, Francesco Carnovale +12
Silicon dioxide is a suitable material to encapsulate proteins at room temperature so that they can be analysed at the atomic level using laser-assisted atom probe tomography (La-A…
Predicting neutron experiments from first principles: A workflow powered by machine learning
Eric Lindgren, Adam J. Jackson, Erik Fransson +6
Machine learning has emerged as a powerful tool in materials discovery, enabling the rapid design of novel materials with tailored properties for countless applications, including…
Roadmap for Photonics with 2D Materials
F. Javier García de Abajo, D. N. Basov, Frank H. L. Koppens +145
Triggered by the development of exfoliation and the identification of a wide range of extraordinary physical properties in self-standing films consisting of one or few atomic layer…
Revealing the Low Temperature Phase of FAPbI using A Machine-Learned Potential
Sangita Dutta, Erik Fransson, Tobias Hainer +4
FAPbI is a material of interest for its potential in solar cell applications, driven by its remarkable optoelectronic properties. However, the low-temperature phase of FAPbI$_3…
NEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements
Ting Liang, Ke Xu, Eric Lindgren +16
While machine-learned interatomic potentials offer near-quantum-mechanical accuracy for atomistic simulations, many are material-specific or computationally intensive, limiting the…
Dynasor 2: From Simulation to Experiment Through Correlation Functions
Esmée Berger, Erik Fransson, Fredrik Eriksson +4
Correlation functions, such as static and dynamic structure factors, offer a versatile approach to analyzing atomic-scale structure and dynamics. By having access to the full dynam…
Quantum Batteries: A Materials Science Perspective
A. Camposeo, T. Virgili, F. Lombardi +3
In the context of quantum thermodynamics, quantum batteries have emerged as promising devices for energy storage and manipulation. Over the past decade, substantial progress has be…
Probing Glass Formation in Perylene Derivatives via Atomic Scale Simulations and Bayesian Regression
Eric Lindgren, Jan Swensson, Christian Müller +1
While the structural dynamics of chromophores are of interest for a range of applications, it is experimentally very challenging to resolve the underlying microscopic mechanisms. G…
Roadmap on Quantum Magnetic Materials
Antonija Grubišić-Čabo, Marcos H. D. Guimarães, Dmytro Afanasiev +36
Fundamental research on two-dimensional (2D) magnetic systems based on van der Waals materials has been gaining traction rapidly since their recent discovery. With the increase of…
Ion generation by photoionization and photofield tunneling of electrons during atom probe tomography of thermally grown chromia with deep UV laser light
Severin Jakob, David Mayweg, Mattias Thuvander
The evaporation mechanisms during laser-assisted field evaporation of thermally grown chromia is investigated with the newest generation of commercial atom probe tomography instrum…
Probing trade-off between critical size and velocity in cold-spray: An atomistic simulation
Mahyar Ghasemi, Alireza Seifi, Movaffaq Kateb +3
The detailed mechanism of bonding in the cold spray process has remained elusive for both experimental and theoretical parties. Adiabatic shear instability and hydrodynamic plastic…
Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of materials
Penghua Ying, Wenjiang Zhou, Lucas Svensson +10
Path-integral molecular dynamics (PIMD) simulations are crucial for accurately capturing nuclear quantum effects in materials. However, their computational intensity and reliance o…
Untangling the Raman spectrum of cubic and tetragonal BaZrO
Petter Rosander, Erik Fransson, Nicklas Österbacka +2
Raman spectroscopy is a widely used experimental technique to study the vibrational properties of solids. Atomic scale simulations can be used to predict such spectra, but trustwor…
In-situ scanning gate imaging of individual two-level material defects in live superconducting quantum circuits
M. Hegedüs, R. Banerjee, A. Hutcheson +6
The low temperature physics of structurally amorphous materials is governed by two-level system defects (TLS), the exact origin and nature of which remain elusive despite decades o…
Optical line shapes of color centers in solids from classical autocorrelation functions
Christopher Linderälv, Nicklas Österbacka, Julia Wiktor +1
Color centers play key roles in applications, including, e.g., solid state lighting and quantum information technology, for which the coupling between their optical and vibrational…
Controlling Plasmonic Catalysis via Strong Coupling with Electromagnetic Resonators
Jakub Fojt, Paul Erhart, Christian Schäfer
Plasmonic excitations decay within femtoseconds, leaving non-thermal (often referred to as "hot") charge carriers behind that can be injected into molecular structures to trigger c…
Texture tomography with high angular resolution utilizing sparsity
Mads Carlsen, Florencia Malamud, Peter Modregger +5
We demonstrate a novel approach to the reconstruction of scanning probe x-ray diffraction tomography data with anisotropic poly crystalline samples. The method involves reconstruct…
Impact of Surface Adsorbates and Dimensionality on Templating of Halide Perovskites
Erik Fransson, Julia Wiktor, Paul Erhart
Two-dimensional (2D) halide perovskites (HPs) are promising materials for various optoelectronic applications, yet a comprehensive understanding of their dynamics is still elusive.…
Direct, indirect, and self-trapped excitons in CsAgBiBr
Mehmet Baskurt, Paul Erhart, Julia Wiktor
CsAgBiBr exhibits promising photovoltaic and light-emitting properties, making it a candidate for next-generation solar cells and LED technologies. Additionally, it serves…