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Looking Local: Milky Way Science with JWST

The James Webb Space Telescope has only been operating for a short time, but has already revolutionized multiple areas of astrophysics, including our understanding of our home Galaxy. With a 6.6 meter primary mirror and four infrared science instruments, JWST’s science mission includes measurements of exoplanet atmospheres, observations of the chemistry of molecular clouds, tracing the lifecycle of dust in the interstellar medium (ISM), investigations of galaxy mergers and probing the first galaxies and the cosmological history of the universe. By investigating the Milky Way with JWST astronomers can not only better understand the physics, chemistry and dynamics of our own backyard, but these results can be used to more accurately inform the interpretation of observations of the distant universe. This presentation will detail JWST’s capabilities for conducting observations and surveys in the Milky Way, as well as highlight some early results from the observatory.

Erin C. Smith

NASA's Upper Atmosphere Research Program UARP and Atmospheric Chemistry Modeling and Analysis Program (ACMAP): Research Summaries 1994 - 1996. Report to Congress and the Environmental Protection Agency

Under the mandate contained in the FY 1976 NASA Authorization Act, the National Aeronautics and Space Administration (NASA) has developed and is implementing a comprehensive program of research, technology, and monitoring of the Earth's upper atmosphere, with emphasis on the stratosphere. This program aims at expanding our understanding to permit both the quantitative analysis of current perturbations as well as the assessment of possible future changes in this important region of our environment. It is carried out jointly by the Upper Atmosphere Research Program (UARP) and the Atmospheric Chemistry Modeling and Analysis Program (ACMAP), both managed within the Science Division in the Office of Mission to Planet Earth at NASA. Significant contributions to this effort are also provided by the Atmospheric Effects of Aviation Project (AEAP) of NASA's Office of Aeronautics. The long-term objectives of the present program are to perform research to: understand the physics, chemistry, and transport processes of the upper atmosphere and their effect on the distribution of chemical species in the stratosphere, such as ozone; understand the relationship of the trace constituent composition of the lower stratosphere and the lower troposphere to the radiative balance and temperature distribution of the Earth's atmosphere; and accurately assess possible perturbations of the upper atmosphere caused by human activities as well as by natural phenomena. In compliance with the Clean Air Act Amendments of 1990, Public Law 101-549, NASA has prepared a report on the state of our knowledge of the Earth's upper atmosphere, particularly the stratosphere, and on the progress of UARP and ACMAP. The report for the year 1996 is composed of two parts. Part 1 summarizes the objectives, status, and accomplishments of the research tasks supported under NASA UARP and ACMAP in a document entitled, Research Summary 1994-1996. Part 2 is entitled Present State of Knowledge of the Upper Atmosphere 1996.- An Assessment Report. It consists primarily of the Executive Summary and Chapter Summaries of the World Meteorological Organization Global Ozone Research and Monitoring Project Report No. 37, Scientific Assessment of Ozone Depletion: 1994, sponsored by NASA, the National Oceanic and Atmospheric Administration (NOAA), the UK Department of the Environment, the United Nations Environment Program, and the World Meteorological Organization. Other sections of Part 11 include summaries of the following: an Atmospheric Ozone Research Plan from NASA's Office of Mission to Planet Earth; summaries from a series of Space Shuttle-based missions and two recent airborne measurement campaigns; the Executive Summary of the 1995 Scientific Assessment of the Atmospheric Effects of Stratospheric Aircraft, and the most recent evaluation of photochemical and chemical kinetics data (Evaluation No. 12 of the NASA Panel for Data Evaluation) used as input parameters for atmospheric models.

Kendall, Rose

A fractional calculus framework for open quantum dynamics: From Liouville to Lindblad to memory kernels

Open quantum systems exhibit dynamics ranging from unitary evolution to irreversible dissipation. While the Gorini–Kossakowski–Sudarshan–Lindblad equation uniquely characterizes Markovian completely positive and trace-preserving (CPTP) evolution, many physical platforms display non-Markovian features such as algebraic relaxation and coherence backflow. Fractional calculus provides a natural way to model such long-memory behavior through power-law temporal kernels introduced by fractional time derivatives. Here, we develop a unified framework that embeds fractional master equations within the broader hierarchy of open-system formalisms. The fractional equation forms a structured subclass of memory-kernel models, reduces to the Lindblad form at unit order, and, through Bochner–Phillips subordination, admits a CPTP representation as an average over Lindblad semigroups. Its resolvent structure further connects fractional dynamics to established non-Markovian approaches, including Nakajima–Zwanzig kernels and hierarchical equations of motion, providing a compact surrogate for long-memory effects. This formulation positions fractional calculus as a rigorous and practical language for modeling non-Markovian quantum dynamics in chemical physics and physical chemistry, providing a CPTP-preserving, computationally efficient surrogate for structured condensed-phase environments where long-time memory and dissipation play a central role.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC

Accelerating the discovery of low-energy structure configurations: A computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning

Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys considered candidate PFMs is key because it determines the most stable arrangement of atoms within the alloy, directly influencing its phase stability, structural integrity, and thermo-mechanical properties. However, since the search space grows exponentially with the number of atoms considered, obtaining such MECs using computationally expensive first-principles DFT calculations often results in a cumbersome task. To escape the above compromise between physical fidelity and computational efficiency, we have developed a novel physics-based data-driven approach that combines Monte Carlo sampling, first-principles DFT calculations, and Machine Learning to accelerate the discovery of MECs in multi-component alloys. More specifically, we have leveraged well-established Cluster Expansion (CE) techniques with Local Outlier Factor models to establish strategies that enhance the reliability of the CE method. In this work, we demonstrated the capabilities of the proposed approach for the particular case of a tungsten-based quaternary high-entropy alloy. However, the method is applicable to other types of alloys and enables a wide range of applications.

36 MATERIALS SCIENCE

Nonlinear triggered lightning models for use in finite difference calculations

Two nonlinear triggered lightning models have been developed for use in finite difference calculations. Both are based on three species of air chemistry physics and couple nonlinearly calculated air conductivity to Maxwell's equations. The first model is suitable for use in three-dimensional modeling and has been applied to the analysis of triggered lightning on the NASA F106B Thunderstorm Research Aircraft. The model calculates number densities of positive ions, negative ions, and electrons as a function of time and space through continuity equations, including convective derivative terms. The set of equations is closed by using experimentally determined mobilities, and the mobilities are also used to determine the air conductivity. Results from the model's application to the F106B are shown. The second model is two-dimensional and incorporates an enhanced air chemistry formulation. Momentum conservation equations replace the mobility assumption of the first model. Energy conservation equations for neutrals, heavy ions, and electrons are also used. Energy transfer into molecular vibrational modes is accounted for. The purpose for the enhanced model is to include the effects of temperature into the air breakdown, a necessary step if the model is to simulate more than the very earliest stages of breakdown. Therefore, the model also incorporates a temperature-dependent electron avalanche rate. Results from the model's application to breakdown around a conducting ellipsoid placed in an electric field are shown.

Rudolph, Terence

Broadband coherent XUV light from e − / e + microbunching in an intense laser pulse

Attosecond pulses of coherent extreme ultraviolet (XUV) light are instrumental for investigating subatomic dynamics and can be produced using a free-electron laser (FEL). It has been suggested that an optical FEL, which employs a laser pulse in place of a conventional undulator, could enable a dramatically more compact implementation of such a light source. Yet, the high electron density and subsequent high emittance implied by an optical FEL makes this concept challenging to realize with an electron beam. There has been impressive progress in recent years producing collimated dense and relativistic beams of electrons and positrons in the laboratory. As we demonstrate here, the inherent stability of a quasi-neutral electron-positron beam mitigates Coulomb expansion, and renders it a promising alternative source of coherent light. Specifically, we show via computer simulations that broadband coherent light in the XUV domain, which takes the form of 8-as pulses at 92-as intervals, can be generated by microbunching of relativistic electrons and positrons in a laser pulse. This process occurs over a sub-millimeter length scale, enabling the development of light sources which are orders-of-magnitude more compact than existing sources, with potential applications in physics, chemistry, biology, and industry.

47 OTHER INSTRUMENTATION

Science Capabilities of the Common Habitat

The Common Habitat is the primary habitable element in a conceptual architecture feasibility study for long-duration space exploration with an eight-person crew size. On lunar or planetary surfaces, the Common Habitat forms the core of a Surface Base Camp. In microgravity, the Common Habitat is the core of the Deep Space Exploration Vehicle (DSEV), an in-space transportation spacecraft. The Common Habitat employs a horizontal orientation that is divided internally into a lower deck, mid deck, and upper deck, roughly separating outfitting into individual, work, and group functions. On a planetary surface, the habitat is incorporated into a base camp, located near the south pole in the case of the Moon. The Mars base camp is currently location agnostic. Each base camp is divided into habitation, landing, resource production, and power zones. In microgravity, the habitat is incorporated into the Deep Space Exploration Vehicle, a vessel capable of transporting the crew within the inner solar system. In addition to crew and teleoperated control of external science assets, the Common Habitat employs a suite of life and physical science laboratory systems to enable it to support science investigations across a variety of destination environments, primarily featuring the Moon and Mars, along with the intervening interplanetary space. Other potential destinations include Near Earth Asteroids and Venus and Earth orbits. Located in the aft starboard section of the Common Habitat mid deck, the life science laboratory supports primarily biology and human research. In its baseline configuration, the laboratory includes horizontal work surfaces, freezers, multiple gloveboxes, sample transfer/exposure capability, large instruments, and reconfigurable ISPR-compatible payload bays. The Medical Care Facility and exercise facility can also support life science research. In the aft port section of the mid deck, the physical science laboratory supports physics, chemistry, materials science, geology, and remote sensing (including astrophysics, heliophysics, Earth science, planetary science, and meteorology). It provides a baseline of similar ISPR-compatible payload bays and adds additional freezers, including those for cryogenic sample storage, a remote sensing workstation, more gloveboxes, also with sample transfer/exposure, combustion chambers, fluid mechanics chambers, and a gas chromatograph. It leverages the Command & Control Center for teleoperations of mobile science assets. Both laboratories are highly modular, with the ability to swap out both payloads and instruments on an as-needed basis. The integrated science outfitting of the Common Habitat positions its crew to contribute to all of NASA’s Moon to Mars science objectives and extend human understanding into the inner solar system.

Lunar Suface

Interference Control of Fano Resonances and Dynamical Imaging of an Electron Wave Packet

The Fano line shape, arising from the interference of pathways for the excitation of discrete and continuum states, plays a fundamental role in many branches of physics, chemistry, and materials science. Exciting the resonance with a high harmonic provides naturally a phase delay between the pathways leading to a complex asymmetry parameter. We demonstrate that its amplitude and phase can be controlled on the femtosecond and attosecond time scales, respectively. With our high-energy-resolution (10-meV) experiment, we dynamically image a resonance-enhanced electron wave packet during its temporal evolution, extracting both the amplitude and the phase. Calculations reproduce our experimental results. Our approach constitutes a method for measuring the photoionization delays of a resonance and enables the reconstruction of the electron wave packet in the time domain. This concept of an interference-controlled Fano line shape is a step toward attosecond quantum optics with potential ramifications into nanoscience and next-generation optical materials.

Han, Meng [ETH Zürich (Switzerland); Kansas State

Exploring toroidal anvil profiles for larger sample volumes above 4 Mbar

Abstract With the advent of toroidal and double-stage diamond anvil cells (DACs), pressures between 4 and 10 Mbar can be achieved under static compression, however, the ability to explore diverse sample assemblies is limited on these micron-scale anvils. Adapting the toroidal DAC to support larger sample volumes offers expanded capabilities in physics, chemistry, and planetary science: including, characterizing materials in soft pressure media to multi-megabar pressures, synthesizing novel phases, and probing planetary assemblages at the interior pressures and temperatures of super-Earths and sub-Neptunes. Here we have continued the exploration of larger toroidal DAC profiles by iteratively testing various torus and shoulder depths with central culet diameters in the 30–50 µm range. We present a 30 µm culet profile that reached a maximum pressure of 414(1) GPa based on a Pt scale. The 300 K equations of state fit to our P–V data collected on gold and rhenium are compatible with extrapolated hydrostatic equations of state within 1% up to 4 Mbar. This work validates the performance of these large-culet toroidal anvils to > 4 Mbar and provides a promising foundation to develop toroidal DACs for diverse sample loading and laser heating.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND

Fabrication of pristine 2D heterostructures for scanning probe microscopy

Material-by-design has been a long-standing aspiration that has recently become a reality. Such designer materials have been repeatedly demonstrated using the top-down approach of mechanical exfoliation and stacking, leading to a variety of artificial 2D heterostructures with new properties that are otherwise unattainable. Consequently, tremendous research frontiers in physics, chemistry, engineering, and life science have been created. While thousands of layered crystals exist in nature, only a few dozen of them with manageable chemical-stability have been made into heterostructures using this method. Moreover, experimental investigations of materials that have received limited exploration in the 2D realm, such as cuprates, halides, and perovskites, along with their heterostructures, have been fundamentally hindered by their rapid chemical degradation. Another critical challenge imposed by exfoliating and stacking 2D layers in ambient environment is the absorption of itinerant gas molecules that further contaminate sensitive 2D interfaces in the heterostructures. Such contamination and compromised material properties significantly hinder surface-sensitive local probes—scanning probe microscopy (SPM)—that often require nanometer to atomic scale surface cleanliness. In this article, we aim to provide a technical review of recent development toward 2D materials and heterostructure fabrication in more controlled environments that are suitable for SPM characterizations. These include the development of more efficient mechanical exfoliation and dry-transfer techniques, as well as the incorporation of 2D material exfoliation and transfer in inert gas, low vacuum, and, eventually, ultra-high vacuum environments. Finally, we provide an outlook on the remaining challenges and opportunities in ultra-clean 2D material fabrication techniques.

Materials Science

On the Trotter Error in Many-body Quantum Dynamics with Coulomb Potentials

Efficient simulation of many-body quantum systems is central to advances in physics, chemistry, and quantum computing, with a key question being whether the simulation cost scales polynomially with the system size. Here, in this work, we analyze many-body quantum systems with Coulomb interactions, which are fundamental to electronic and molecular systems. We prove that Trotterization for such unbounded Hamiltonians achieves a 1/4-order convergence rate, with explicit polynomial dependence on the number of particles. The result holds for all initial wavefunctions in the domain of the Hamiltonian, and the 1/4-order convergence rate is optimal, as previous work has numerically demonstrated that it can be saturated by a specific initial ground state. The main challenges arise from the many-body structure and the singular nature of the Coulomb potential. Our proof strategy differs from prior state-of-the-art Trotter analyses, addressing both difficulties in a unified framework. Our analysis treats the Coulomb potential as an unbounded operator without modification or regularization, and does not rely on spatial discretization, making it compatible with both first- and second-quantized circuit constructions.

Fang, Di [Duke Univ., Durham, NC (United States)]

Generalized fiducial inference on differentiable manifolds

We introduce a novel approach to inference on parameters that take values in a Riemannian manifold embedded in a Euclidean space. Parameter spaces of this form are ubiquitous across many fields, including chemistry, physics, computer graphics, and geology. Here, this new approach uses generalized fiducial inference (GFI) to obtain a posterior-like distribution on the manifold, without needing to know local parameterizations that map to the constrained space from an unconstrained Euclidean space. Using mathematical tools from Riemannian geometry, we construct a constrained generalized fiducial distribution (CGFD). A Bernstein-von Mises-type result for the CGFD, which provides intuition for how the desirable asymptotic qualities of the unconstrained generalized fiducial distribution are inherited by the CGFD, is provided. To illustrate the practical use of the CGFD, we provide a proof-of-concept example in the context of a linear logspline density estimation problem, and demonstrate that CGFD-based confidence sets exhibit desirable coverage properties via simulation. As an application, we fit a CGFD to COVID-19 case count data from North Carolina, USA.

97 MATHEMATICS AND COMPUTING

New Perspectives on Vibrational Energy Transfer in Energetic Materials: Insights from Pressure-Tuned Ultrafast Spectroscopy

Understanding the manner in which vibrational energy flows between molecular and lattice vibrations is of great interest in physical chemistry due to its central role in reactivity and energy dissipation in molecular materials. Here, in this feature article, we highlight our recent efforts employing ultrafast broadband infrared spectroscopy toward understanding the interplay between molecular and lattice vibrations in energetic materials, motivated by the open questions surrounding the role of vibrational energy transfer (VET) in reaction initiation in these materials. Our work addresses the ongoing debate on the participation of doorway modes in VET. We further present new results from high-pressure ultrafast experiments on RDX, a hydrogen-bonded material, and BNFF, a hydrogen-free material, to explore how intermolecular interaction strength governs VET pathways and time scales. Collectively, our findings reveal that vibrational dynamics in these systems occurs across three distinct time regimes, with VET being incomplete out to hundreds of picoseconds, suggesting the importance of considering nonstatistical reactions in the modeling of these materials. These time scales vary as intermolecular interaction strength is indirectly modified by application of static pressure, indicating dramatic changes to the vibrational structure of these materials under shock-relevant conditions. Our results thus shed light on how intermolecular interactions shape vibrational energy redistribution in molecular materials, and highlight the need for further theoretical and experimental investigation.

Carlson, Daniel Ryan [Sandia National Laboratories

Vibrational Quantum-State-Controlled Reactivity in the O 2 + + C 3 H 4 Reaction

Quantum-state-controlled reactivity is a long-standing goal in the field of physical chemistry. In this work, we explore the vibrational-state-dependent behavior of the ion–molecule reaction between O 2 + in distinct vibrational states and two isomers of C 3 H 4 , allene (H 2 C 3 H 2 ) and propyne (H 3 C 3 H). While most products are formed regardless of the vibrational state of O 2 + , the branching ratios are influenced by vibrational excitation, and a new product, C 2 O + , appears exclusively in the excited-state reactions. This selective formation of C 2 O + demonstrates that vibrational excitation can effectively activate a reaction pathway, providing direct evidence of quantum-state control in the reactivity. These results represent an important step toward the goal of quantum-state-controlled chemistry in molecular systems.

Chemical reactions

33 Unresolved Questions in Nanoscience and Nanotechnology

Significant advances in science and engineering often emerge at the intersections of disciplines. Nanoscience and nanotechnology are inherently interdisciplinary, uniting researchers from chemistry, physics, biology, medicine, materials science, and engineering. This convergence has fostered novel ways of thinking and enabled the development of materials, tools, and technologies that have transformed both basic and applied research, as well as how we address critical societal challenges. In this Nano Focus, we pose and explore 33 questions whose answers could profoundly impact fields such as energy, electronics, the environment, optics, and medicine. These questions highlight the need for deeper foundational understanding, improved tools and techniques, and innovative applications─each with significant societal relevance. Together, they represent a global call-to-action for the scientific community.

77 NANOSCIENCE AND NANOTECHNOLOGY

Imaging from Macro to Nanoscale: Multimodal Advances in Chemical and Biomedical Imaging

Imaging increasingly serves as a multiscale framework for linking molecular mechanisms to cellular behavior, tissue architecture, and organ phenotypes in biology and unraveling fundamental processes in chemistry, physics and materials science. This Perspective highlights recent advances in chemical and biomedical imaging across macro-, micro-, and nanoscales, using representative examples published in Chemical and Biomedical Imaging (CBMI). At the macroscale, we discuss chemically selective MRI, including endogenous and exogenous CEST strategies, together with photoacoustic imaging as a hybrid modality with functional and chemical contrast. At the microscale, we consider fluorescence, label-free optical and vibrational imaging, and selected X-ray approaches that expand sensitivity, specificity, and temporal resolution in biological and materials systems. At the nanoscale, we highlight super-resolution fluorescence microscopy, single-molecule methods, tip-enhanced Raman spectroscopy, and correlative imaging strategies that resolve local heterogeneity and molecular organization. Across scales, a common theme emerges that advances in probes, contrast mechanisms, instrumentation, and sample handling are enabling chemically informed imaging that connects molecular specificity with biological context.

multiscale imaging

Reimagining Earth in the Earth System

Abstract Terrestrial, aquatic, and marine ecosystems regulate climate at local to global scales through exchanges of energy and matter with the atmosphere and assist with climate change mitigation through nature‐based climate solutions. Climate science is no longer a study of the physics of the atmosphere and oceans, but also the ecology of the biosphere. This is the promise of Earth system science: to transcend academic disciplines to enable study of the interacting physics, chemistry, and biology of the planet. However, long‐standing tension in protecting, restoring, and managing forest ecosystems to purposely improve climate evidences the difficulties of interdisciplinary science. For four centuries, forest management for climate betterment was argued, legislated, and ultimately dismissed, when nineteenth century atmospheric scientists narrowly defined climate science to the exclusion of ecology. Today's Earth system science, with its roots in global models of climate, unfolds in similar ways to the past. With Earth system models, geoscientists are again defining the ecology of the Earth system. Here we reframe Earth system science so that the biosphere and its ecology are equally integrated with the fluid Earth to enable Earth system prediction for planetary stewardship. Central to this is the need to overcome an intellectual heritage to the models that elevates geoscience and marginalizes ecology and local land knowledge. The call for kilometer‐scale atmospheric and ocean models, without concomitant scientific and computational investment in the land and biosphere, perpetuates the geophysical view of Earth and will not fully provide the comprehensive actionable information needed for a changing climate.

Meteorology & Atmospheric Sciences

Scalable quantum computational science: A perspective from block-encodings and polynomial transformations

Significant developments made in quantum hardware and error correction recently have been driving quantum computing toward practical utility. However, gaps remain between abstract quantum algorithmic development and practical applications in computational sciences. In this perspective article, we propose several properties that scalable quantum computational science methods should possess. We further discuss how block-encodings and polynomial transformations can potentially serve as a unified framework with the desired properties. Recent advancements on these topics are presented, including the construction and assembly of block-encodings, and various generalizations of quantum signal processing (QSP) algorithms to perform polynomial transformations. The scalability of QSP methods on parallel and distributed quantum architectures is also highlighted. Promising applications in simulation and observable estimation in chemistry, physics, and optimization problems are presented. We hope this perspective serves as a gentle introduction to state-of-the-art quantum algorithms for the computational science community and inspires future development of scalable quantum computational science methodologies that bridge theory and practice.

Bayesian inference