Paul Scherrer Institute

Efficient Nonequilibrium Electron Dynamics from First-Principles: Leveraging Koopmans Spectral Functionals and Wannier Localization

Abstract We present an efficient first-principles approach for simulating the nonequilibrium electron dynamics in extended systems beyond the linear regime. The method combines Koopmans-compliant functionals, which provide accurate quasiparticle band structures, with the real-tim...

Conformal data for the $O(2)$ Wilson-Fisher CFT in $(2+1)$-dimensional spacetime from exact diagonalization and matrix product states on the fuzzy sphere

We study at zero temperature a microscopic quantum spin-1 model on the fuzzy sphere that realizes the O(2) O ( 2 ) Wilson-Fisher conformal field theory (CFT) in (2+1) ( 2 + 1 ) -dimensional spacetime at a quantum critical point. Here, we use the fuzzy-sphere regularization as it...

Density Measurement of Irradiated and Nonirradiated Zirconium Oxide by Ptychographic X‐Ray Computed Tomography (PXCT)

This study establishes a fundamental groundwork for understanding the mass density of zirconium oxide formed on Zircaloy‐4 nuclear fuel cladding under in‐reactor and autoclave oxidation conditions, providing reference data for future applications. Ptychographic X‐ray computed tom...

Discovery and Optimization of a Novel Brain-Penetrant Colchicine-Binding Site Ligand for Treatment of Glioma

Abstract The limited number of approved drugs for treatment of brain cancers is very apparent. Temozolomide and Vorasidenib continue to be the only approved brain-permeable, orally available drugs. A novel class of highly brain-penetrant tubulin-binding ligands was discovered thr...

Deciphering coccolith formation: advanced microscopy insights from the biomineralization of Gephyrocapsa huxleyi

Abstract Coccolithophores are unicellular marine phytoplankton that produce complex and intricately shaped mineralized scales called coccoliths. Coccoliths are produced in an intracellular vesicle where crystal nucleation occurs, from which several individual calcite units develo...

Experimental study of a ten sodium heat pipe bundle array with various failure modes

Alkali metal heat pipes are key components for high-temperature heat removal in microreactors, where multiple heat pipes are embedded directly within the reactor core. Their collective thermal behavior, including interactions under off-normal conditions, remains insufficiently ch...

4D reconstruction of alumina laser melt pools at 25 kHz via operando X-ray multi-projection imaging

Abstract Advancing additive manufacturing, e.g., laser powder-bed fusion (LPBF), requires resolving rapid processes such as melt-pool dynamics and keyhole evolution in 4D (3D + time). Operando X-ray tomography is a state-of-the-art approach for 4D characterization, but its tempor...

The stripe state at 1/8 Ba doping hosts optimal superconductivity in La-214 cuprates under low in-plane stress

Abstract The cuprate system La 2− x Ba x CuO 4 (LBCO) exhibits a pronounced sensitivity to in-plane uniaxial stress, particularly near the 1/8 doping anomaly, where stripe order strongly suppresses bulk superconductivity. While previous studies have focused on compositions close...

Hierarchical quasiparticle dynamics in antiferromagnets revealed by time- and momentum-resolved X-ray scattering

Abstract Energy flows among coupled subsystems are essential for ultrafast dynamics and high-speed technologies. In magnetic materials, spin fluctuations —magnons— mediate these flows in ultrafast magnetism. Yet momentum-resolved access to low-energy magnons governing the microsc...

Multiscale transitional flow in anisotropic nanoparticle suspensions revealed by time-resolved X-ray scatter microscopy

Abstract Complex fluids transition from laminar to transitional flow above a critical control parameter, in a similar manner to their Newtonian counterparts. In a continuum mechanics sense, fluid elements follow the ensuing complex trajectories, which gives rise to secondary flow...

Design and Commissioning of a Deuterium-Tritium Gas Delivery System for Muon-Catalyzed Fusion in a Diamond Anvil Cell

We report the design, commissioning, and operation of deuterium-deuterium (DD) and deuterium-tritium (DT) gas delivery systems developed to load a diamond anvil cell (DAC) beam target for muon-catalyzed fusion (µCF). The DAC approach enables DT fuel to be compressed to gigapascal...

Injectable Hydrogels from a Thermoresponsive Triblock Terpolymer: Structural Investigation Using Small-Angle Neutron Scattering

Abstract Aqueous solutions from block copolymers with blocks featuring lower critical solution temperature behavior have attracted great interest for 3D bioprinting, as they are in the liquid state at room temperature but become a soft and tissue-like solid at body temperature by...

Mont Blanc ice core: δ15N of Ammonium

Dataset to interpret the δ15N(NH4+) in a Mont Blanc ice core. The document includes high resolution measurements and decadal averages of the CDD16 ice core. High-resolution measurements are in depth (m) or age (a CE). Decadal averages are mass weighted means. The long term values...

Industrial thermal energy supply options: A multifactor evaluation framework

Industrial heat production represents approximately 50% of U.S. manufacturing sector energy needs and related emissions, yet emission reduction strategies for this sector remain underexplored relative to power and transportation. This study applies the open-source LiAISON (Life c...

Beta Atlas: Charting Global Production of Nonconventional β − -Emitters for Targeted Radiopharmaceutical Therapy—Part 1

β-minus particle (β−)–emitting radionuclides have long been central to targeted radiopharmaceutical therapy. Interest in expanding their repertoire beyond conventional options has grown over time, as the need for radionuclides with different emission profiles and theranostic pote...

Global economic and environmental trade-offs of power-to-liquid fuels

Power-to-liquid (PtL) fuels are carbon-based liquid fuels made from hydrogen and carbon dioxide that can substitute fossil fuels in hard-to-electrify mobility sectors, particularly aviation and maritime transport, but their climate benefits depend strongly on how hydrogen, carbon...

Generation of a high-intensity, superthermal muonium beam for gravity and laser spectroscopy experiments

Abstract The universality of free fall, a cornerstone of Einstein’s theory of gravity, has so far only been tested with neutral composite states of first-generation standard model particles, such as atoms, neutrons and antihydrogen. Muonium, the bound state of a positively charge...

The UZH protocol: Separating errors and constructing improved CP2K basis sets and pseudopotentials

Reliable density-functional simulations require numerical settings whose residual errors are smaller than the chemical and materials trends being interpreted. In CP2K/QUICKSTEP, this requirement is complicated by the joint use of atom-centered Gaussian basis sets and norm-conserv...

Comparison of Chemical Transport Model and Observation Derived Ozone-NO x -VOC Isopleths for the South Coast Air Basin of California

Abstract We developed, applied, evaluated, and compared chemical transport model-based and observation-based methods for constructing ozone isopleths used to understand ozone-emission relationships, focusing on the South Coast Air Basin of California (SoCAB). The High-order Decou...

Few-shot neuromorphic vision in a nonlinear photonic network laser

With the growing prevalence of artificial intelligence (AI), demand increases for hardware that mimics the brain’s ability to extract structure from limited data. In the retina, ganglion cells detect features from sparse inputs via lateral inhibition, where neurons antagonistical...