jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Arthur Niedermayr | Jianyu Wu | B. Fisher | Ido Kaminer | Jonas Weissenrieder
Source: ArXiv.org (article, 2026-01-08)
Field: Materials Science — Polymers and Plastics

Correlative Ultrafast Imaging of a Propagating Photo-Driven Phase Transition Using 4D STEM Oxides exhibiting insulator-metal transitions are promising candidates for next generation ultrafast electronic switching devices. However, critical gaps remain in understanding the onset of strain and its dynamics as these materials undergo structural transitions, particularly in nanostructured configurations. Here, we present ultrafast four-dimensional scanning transmission electron microscopy enabling virtual imaging and strain mapping at every point in space and time. Using this technique, we directly probe a laser-excited phase transition in the prototypical material vanadium dioxide (VO2), recording its spatiotemporal propagation. This direct imaging capability reveals the dynamics of the structural phase transition and connects it to the resulting strain formation on picosecond timescales. This correlation reveals how atomic-scale symmetry breaking inherently generates lattice distortions, which then propagate to govern macroscopic property changes. Our findings provide new insights into the coupling between electronic, structural, and mechanical responses in correlated oxides under non-equilibrium conditions. Ultrashort pulse ; Phase transition ; Picosecond ; Scanning transmission electron microscopy ; Ultrafast electron diffraction ; Coupling (piping) ; Phase (matter) Transition Metal Oxide Nanomaterials ; Advanced Electron Microscopy Techniques and Applications ; Photocathodes and Microchannel Plates
Authors: J. Vlček | Michal Kaufman | Elnaz Mohammadi Nia | Jiří Houška | Jiechao Jiang | R. Čerstvý | Stanislav Haviar | Efstathios I. Meletis
Source: ACS Applied Nano Materials (article, 2026-02-13)
Field: Materials Science — Polymers and Plastics

High-Performance Thermochromic Multilayer Coatings of W-Doped VO <sub>2</sub> Nanoparticles Dispersed in an SiO <sub>2</sub> Matrix Prepared on Glass at a Low Temperature We report a high-performance thermochromic VO<sub>2</sub>-based coating prepared on standard glass at a low substrate temperature of 350 °C without opening the vacuum chamber to the atmosphere. It is formed by four layers of W-doped VO<sub>2</sub> nanoparticles dispersed in the SiO<sub>2</sub> matrix. The coating exhibits a transition temperature of 33 °C with an integral luminous transmittance of 65.4% (low-temperature state) and 60.1% (high-temperature state), and a modulation of the solar energy transmittance of 15.3%. Such a combination of properties, together with the low temperature during preparation, fulfills the requirements for large-scale implementation on building glass and has not been reported yet. Nanoparticle ; Thermochromism ; Matrix (chemical analysis) ; Deposition (geology) ; Polymer Transition Metal Oxide Nanomaterials ; Catalysis and Oxidation Reactions ; Pigment Synthesis and Properties
Authors: Mohammad Atif | Kriti Chopra | Fang-Ying Tsai | Ozgur O. Kilic | Tianle Wang | Zhihua Dong | Douglas Benjamin | Charles Leggett | Meifeng Lin | Paolo Calafiura | Salman Habib
Source: arXiv (Cornell University) (article, 2026-03-01)
Field: Materials Science — Materials Chemistry

CelloAI Benchmarks: Toward Repeatable Evaluation of AI Assistants Large Language Models (LLM) are increasingly used for software development, yet existing benchmarks for LLM-based coding assistance do not reflect the constraints of High Energy Physics (HEP) and High Performance Computing (HPC) software. Code correctness must respect science constraints and changes must integrate into large, performance-critical codebases with complex dependencies and build systems. The primary contribution of this paper is the development of practical, repeatable benchmarks that quantify LLM performance on HEP/HPC-relevant tasks. We introduce three evaluation tracks -- code documentation benchmarks measure the ability of an LLM to generate Doxygen-style comments, code generation benchmarks evaluate end-to-end usability on representative GPU kernels, and graphical data analysis benchmarks evaluate vision-enabled LLMs. These benchmarks provide a unified framework for measuring progress in scientific coding assistance across documentation quality, code generation robustness, and multimodal validation analysis. By emphasizing repeatability, automated scoring, and domain-relevant failure modes, the suite enables fair comparisons of models and settings while supporting future work on methods that improve reliability for HEP/HPC software development. Correctness ; Documentation ; Usability ; Coding (social sciences) ; Software ; Suite ; Code (set theory) ; Software inspection Machine Learning in Materials Science ; Scientific Computing and Data Management ; Explainable Artificial Intelligence (XAI)
Authors: Álvaro Rodríguez | Carmen Munuera | Andrés Castellanos-Gómez
Source: ACS Photonics (article, 2026-03-24)
Field: Materials Science — Materials Chemistry

Mechanical Detuning of Exciton–Phonon Resonance in WS <sub>2</sub> Controlling resonant Raman scattering in two-dimensional semiconductors typically requires tuning the excitation energy to match excitonic transitions. Here we show that mechanical deformation can achieve the same effect without changing the laser energy, enabling a controlled transition between resonant and nonresonant Raman scattering at fixed excitation. By applying biaxial strain of up to 1.3% to WS2, the B exciton is red-shifted by 180 meV. This large excitonic shift leads to a pronounced collapse of the double-resonant 2LA(M) mode under 532 nm excitation, quantitatively described by a resonance model formulated in terms of the B exciton energy. Meanwhile, first-order phonons remain narrow and reversible, confirming elastic deformation and efficient strain transfer. These results establish mechanical strain as an effective knob to control exciton–phonon-mediated light–matter interactions. They enable deterministic and reversible tuning of resonance-enhanced Raman scattering and excitonic optical responses in layered semiconductors. Resonance (particle physics) ; Strain (injury) ; Raman scattering ; Laser linewidth ; Raman spectroscopy ; Isotropy ; Bending ; Coupling (piping) ; Modulation (music) 2D Materials and Applications ; Strong Light-Matter Interactions ; Advanced Sensor and Energy Harvesting Materials
Authors: Simon Black | Toby J. Blundell | Marta Brocca | Amrita Chattopadhyay | Roger J. Davey | Amy V. Hall | Henry Holleb | Judith A. K. Howard | Zhao Jiang | Louis O. Jones | Jennifer J. Maunder | Natalie E. Pridmore | Jan Rzepa | Pietro Sacchi | Luca Sironi | Fragkoulis Theodosiou | Amy Woods-Ryan | R. D. Young | Aurora J. Cruz‐Cabeza
Source: Structural Chemistry (article, 2026-01-03)
Field: Chemistry — Physical and Theoretical Chemistry

From X-ray diffraction to molecular simulations: celebrating Professor Angelo Gavezzotti’s contributions to crystal science Professor Angelo Gavezzotti’s scientific works have shaped the field of structural chemistry and inspired crystallographers and molecular modellers alike. To honour his legacy in this contribution, the Durham Molecular Crystals and Crystallisation (DuMoC2) group (and friends) have reviewed his work with a touch of humour and enormous gratitude. After presenting a concise review of his scientific contributions to crystallography and molecular modelling, the Gavezzotti Structural Database (GSD) was compiled and compared to the Cambridge Structural Database (CSD). We then used Angelo’s PIXEL method to analyse some of the GSD crystal structures. Together, through the writing of this paper, we celebrate Angelo’s career. Honour ; Crystal (programming language) ; Crystal engineering ; X-ray crystallography ; Structural chemistry ; Diffraction Crystallography and molecular interactions ; Enzyme Structure and Function ; X-ray Diffraction in Crystallography
Authors: Thea Serra | Fabio Di Nardo | Simone Cavalera | Valentina Testa | Stefano Bertinetti | Claudio Baggiani | Daniele Amparore | Sabrina De Cillis | Sergio Occhipinti | Laura Anfossi
Source: Sensors (article, 2026-03-19)
Field: Chemistry — Spectroscopy

A Rapid and Versatile Colorimetric Sensor for the Visual Detection of Zinc Ions in Urine and Drinking Water The rapid detection of zinc in different aqueous matrices is very relevant. For example, a Zn<sup>2+</sup> level above ca. 50 µM affects drinking water quality, while levels below ca. 25 µM in urine are related to higher probability of prostate cancer. Herein, a simple and rapid qualitative colorimetric sensor for the detection of zinc ions in aqueous samples is developed. The sensor exploits the reaction between 1,5-diphenylthiocarbazone and Zn<sup>2+</sup> to form colored chelates whose color changes with increasing Zn<sup>2+</sup> concentration. The chelating agent has been immobilized in a dried form on various cellulose- and synthetic-based materials to obtain a sensor that can be used for in situ analysis. The procedure to obtain the colorimetric device is easy and straightforward. Moreover, it requires neither specialized personnel to perform the analysis nor specialized personnel for the interpretation of the analytical results. The analysis requires only 20 µL of sample, and a reliable colorimetric output is obtained within 10 min and is stable up to 30 min. The sensor allows Zn<sup>2+</sup> visual detection in drinking water and urine without any sample pre-treatment with excellent efficiency and repeatability. Considering the ability to distinguish between Zn<sup>2+</sup> concentrations equal to 0.5 and 2× the cut-off level, the sensor showed sensitivity and specificity of 100% for fortified tap water analysis and 100% sensitivity and 88.9% specificity for urine samples. The almost-perfect concordance with the reference atomic absorption spectrometer and the 94.1% accuracy demonstrated the sensor's excellent potential to be applied for selective qualitative Zn<sup>2+</sup> detection in real-life situations. Tap water ; Detection limit ; Zinc ; Urine ; Aqueous solution ; Chelation ; Colorimetry ; Repeatability Molecular Sensors and Ion Detection ; Biosensors and Analytical Detection ; Advanced Chemical Sensor Technologies
Authors: Evangelos Balanikas | Xavier Solinas | Laura Antonucci | A. Bonvalet | Matthieu Prouteau | Iris Sanchez | Jiro Abe | Changenet-Barret,, Pascale | Michel Sliwa | Manuel Joffre
Source: SPIRE - Sciences Po Institutional REpository (preprint, 2026-03-24)
Field: Materials Science — Materials Chemistry

Revealing photochemical processes using multiple timescale multiple probing visible transient absorption spectroscopy with two independent femtosecond amplifiers We demonstrate that Arbitrary Detuning Asynchronous Optical Sampling (ADASOPS), a noninvasive method to perform multiple timescale transient absorption spectroscopy using two independent femtosecond amplifiers, can be combined with the technique known as multiple probing. We show that the time delay between a 1-kHz Ti:Sa femtosecond amplifier and a 125-kHz Yb femtosecond amplifier seeded by two free-running femtosecond oscillators can be controlled with a timing jitter better than ±8 ps. This method enables fast scanning of the time delay, with almost 1000 delays covering more than 8 decades scanned more than once per second, which in turns enables time alignment of consecutive scans resulting in a measured time resolution of about 500 fs FWHM. Additionally, multiple probing enables the acquisition of spectra corresponding to time delays multiples of 8 µs benefiting from an excellent signal-to-noise ratio thanks to the accumulation of a large number of laser shots. The potential of this technique is demonstrated with broadband visible transient absorption spectroscopy deciphering the photochemanism of two photo-active molecules, the benchmark intersystem crossing mechanism of copper(I) phenanthroline complexes and the fast photochromism of a novel phenoxyl-imidazolyl radical complex (PIC). For Copper(I) phenanthroline complexes this is the first transient absorption study that could catch the 4 species with three resolved lifetimes equal to 790 fs, 11.3 ps and 41 ns, while for PIC this is the first unambiguous observation, to our knowledge, of the picosecond dynamics of open-shell diradical to closed-shell quinoidal species before its relaxation in about 10 µs. Femtosecond ; Picosecond ; Ultrafast laser spectroscopy ; Spectroscopy ; Nanosecond ; Absorption spectroscopy ; Absorption (acoustics) ; Amplifier Photochromic and Fluorescence Chemistry ; Laser-Matter Interactions and Applications ; Nonlinear Optical Materials Studies
Authors: Bai Yang Wang | Shannon P. Harvey | Kyuho Lee | Yijun Yu | Yonghun Lee | Motoki Osada | Chaitanya Murthy | Srinivas Raghu | Harold Y. Hwang
Source: arXiv (Cornell University) (article, 2026-03-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Evolution of the Superfluid Density in Infinite-Layer Nickelates Nickelate superconductors provide a valuable new platform for the study of unconventional superconductivity that is complementary to the cuprates. One of the central puzzles about high-temperature superconductors is what factors determine the scale of their superconducting transition temperature ($T_\mathrm{c}$). To address this question for infinite-layer nickelates, we present a systematic mutual inductance study of the superfluid density across the doping-dependent superconducting dome of $\mathrm{Nd}_{1-x}\mathrm{Sr}_x\mathrm{NiO}_2$. We observe a weak superfluid stiffness that exhibits an approximately square-root correlation with $T_\mathrm{c}$. We also find a strong interplay between Nd magnetism and the superconducting phase, manifested as a substantial low-temperature suppression of superfluid density. These observations highlight the importance of superconducting phase fluctuations in limiting $T_\mathrm{c}$ and unexpectedly strong coupling between the Nd 4$f$ moments and the superfluid. Superconductivity ; Superfluidity ; Magnetism ; Coupling (piping) ; Phase (matter) ; Limiting Magnetic and transport properties of perovskites and related materials ; Physics of Superconductivity and Magnetism ; Iron-based superconductors research
Authors: Tanner L. Cabaniss | Geoffrey P. Colby | Yingtao Liu | Hyowon Lee | Bradley N. Bohnstedt | Chung‐Hao Lee
Source: Journal of Biomechanical Engineering (article, 2026-02-06)
Field: Materials Science — Polymers and Plastics

In-Vitro Evaluations of Shape Memory Polymer Scaffolds With Tunable Architecture for the Endovascular Embolization of Unruptured Intracranial Aneurysms Translationally relevant metrics for shape memory polymer (SMP) scaffolds intended for the endovascular treatment of intracranial aneurysms were evaluated in various in vitro experiments. Multiple SMP formulations were first evaluated for glass transition properties, with saturated scaffolds demonstrating Tg midpoints of 39 °C, 35 °C, and 32 °C, respectively. Then, the scaffold's porosity (85-95%) and infill pattern (rectilinear, honeycomb, gyroid) were varied, and these designs were systematically compared by compressibility, shape recovery (SR), and pulsatile compaction resistance. The compressibility of ideal and wide-necked aneurysm geometries, each in 6 mm and 8 mm diameter sizes, indicated an upper limit of ∼9 mm in treatable aneurysm diameter for a 5 French catheter. Under physiologically relevant pulsatile loading, all scaffold designs resisted notable compaction, with maximum deformation values not exceeding 55 μm. The shape recovery forces were primarily governed by the porosity level, with low- and medium-porosity scaffolds showing complete and reliable shape recovery, and high-porosity scaffolds exhibiting reduced completeness of shape recovery. Shape recovery rates varied both within and across infill pattern and porosity groups. Together, these findings provide quantitative benchmarks for the translational viability of our SMP scaffold in different key stages of device deployment and establish design guidelines for further optimization of patient-specific endovascular devices. Shape-memory polymer ; Porosity ; Scaffold ; Aneurysm ; Pulsatile flow ; Infill ; Extensibility Polymer composites and self-healing ; Soft Robotics and Applications ; Intracranial Aneurysms: Treatment and Complications
Authors: Lorenzo Santini | Luís C. C. Coelho | Claudio Floridia
Source: Scientific Reports (article, 2026-01-13)
Field: Chemistry — Spectroscopy

Multiple amplitude wavelength modulation spectroscopy for concomitant measurement of pressure and concentration of methane A novel technique based on multiple amplitude wavelength modulation spectroscopy (MA-WMS) for simultaneous measurement of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mtext>CH</mml:mtext> <mml:mn>4</mml:mn></mml:msub> </mml:math> gas concentration and pressure was developed and validated both through simulation and experiment, showing good agreement. To capture the spectrum broadening caused by increasing pressure and concomitantly obtain the concentration at the sensor's location, a laser centered at 1650.9 nm was subjected to multiple amplitude modulation depths while the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>2</mml:mn> <mml:msub><mml:mi>f</mml:mi> <mml:mi>m</mml:mi></mml:msub> </mml:mrow> </mml:math> signal, normalized by the DC component (an invariant quantity under optical loss), was recorded. While the use of a single and fixed modulation can introduce an ambiguity, as different pairs of pressure and concentration can yield the same value, this ambiguity is eliminated by employing multiple amplitude modulations. In this approach, the intersection point of the three level curves can provide the local pressure and concentration. The proposed system was able to measure concentrations from 5% up to 45% and pressures from 0.25 atm up to 1.75 atm, with a maximum error of 2% in concentration and 0.06 atm in pressure, respectively. The system was also tested for attenuation insensitivity, demonstrating that measurements were not significantly affected for up to 10 dB applied optical loss. Amplitude ; Amplitude modulation ; Attenuation ; Wavelength ; Modulation (music) ; Spectroscopy ; Analytical Chemistry (journal) ; Laser Spectroscopy and Laser Applications ; Analytical Chemistry and Sensors ; Optical Imaging and Spectroscopy Techniques
Authors: Amaury Guillou | Nicolas Joudiou | Alice Fortin | Fabienne Gourand | Lionel Mignion | Bénédicte F. Jordan | Dominique Cahard | Cécile Perrio
Source: The Analyst (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

A dual-modal <sup>19</sup> F MRI/ <sup>18</sup> F PET approach using sultone-derived chemical tags Biocompatibility and hydrophilicity are key factors in the design of water-soluble imaging probes, particularly for <sup>19</sup>F MRI, where perfluorocarbon contrast agents are typically highly hydrophobic. To address this limitation, two original sultones containing a polyfluorinated pentaerythritol scaffold were developed and evaluated as precursors of hydrophilic and sensitive <sup>19</sup>F MRI tags. Their ring opening with <sup>19/18</sup>F-fluoride led quantitatively to the corresponding polyfluorinated sulfo compounds that demonstrated water-solubility properties suitable for formulation and <i>in vivo</i> injection. <sup>19</sup>F MRI studies in mice, performed with unprecedented low doses (<100 μM) of the stable polyfluorinated sulfo compounds, provided high-contrast whole-body images consistent with PET imaging of their radiofluorinated analogues. These findings demonstrate that polyfluorinated sultones are promising chemical precursors for <sup>19</sup>F MRI and dual <sup>19</sup>F MRI/<sup>18</sup>F PET probes, enabling improved diagnostic performance. Biocompatibility ; Pentaerythritol ; Pet imaging ; Molecular imaging ; Medical imaging ; Positron emission tomography Lanthanide and Transition Metal Complexes ; Advanced NMR Techniques and Applications ; Fluorine in Organic Chemistry
Authors: Heng Wang | Haoliang Huang | Wei Tao Lv | Xianfeng Wu | Guangdi Zhou | Zihao Nie | Yueying Li | Cui Ding | Danfeng Li | Hongtao Yuan | Qi-Kun Xue | CHEN Zhuoyu
Source: ArXiv.org (article, 2026-01-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Superconductor-insulator transitions in infinite-layer nickelates controlled via ${operando}$ monitored reduction Nickelates represent an emerging class of superconductors that demand innovative approaches for structural and electronic phase modulations. Continuous control over superconductor-insulator transition (SIT) in nickelates remains particularly challenging, hindering both fundamental understanding and potential applications. Here, we demonstrate SIT in infinite-layer nickelate superconductors utilizing multiple techniques, including an ${operando}$ monitored reduction (OMR) method. OMR enables ultrawide-range continuous modulation of the Ni 3${d}$ orbital electron occupancy from ~3${d}^7$ to ~3${d}^9$. The 3${d}$ occupancy is calibrated through systematic synchrotron X-ray absorption (XAS), combined with scanning transmission electron microscopy (STEM) annular bright field (ABF) analysis of oxygen atoms. SIT is further modulated via ionic liquid gating and magnetic field. Strikingly different from cuprates, our Nernst effect measurements show that pairing initiates at the onset of the resistive drop. The subsequent emergence of the Meissner effect at zero resistance marks the establishment of global phase coherence. Angle-dependent magnetotransport within the transition temperature regime indicates a mixture of two-dimensional (2D) and three-dimensional (3D) superconducting characters, suggesting the observed SIT deviates from the canonical 2D model. Our results provide a unique perspective on the interplay of structural and electronic phase transitions in the infinite-layer nickelates across the oxygen content-magnetic field-temperature parameter space. Superconductivity ; Resistive touchscreen ; Synchrotron ; Phase (matter) ; Transmission electron microscopy ; Pairing ; Proximity effect (electron beam lithography) ; Phase transition ; Transition temperature Magnetic and transport properties of perovskites and related materials ; Electronic and Structural Properties of Oxides ; Physics of Superconductivity and Magnetism