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At least 685 records · Page 38

Water driven turbine/brush pipe cleaner

Assemblies are disclosed for cleaning the inside walls of pipes and tubes. A first embodiment includes a small turbine with angled blades axially mounted on one end of a standoff support. An O-ring for stabilizing the assembly within the pipe is mounted in a groove within the outer ring. A replaceable circular brush is fixedly mounted on the opposite end of the standoff support and can be used for cleaning tubes and pipes of various diameters, lengths and configurations. The turbine, standoff support, and brush spin in unison relative to a hub bearing that is fixedly attached to a wire upstream of the assembly. The nonrotating wire is for retaining the assembly in tension and enabling return of the assembly to the pipe entrance. The assembly is initially placed in the pipe or tube to be cleaned. A pressurized water or solution source is provided at a required flow-rate to propel the assembly through the pipe or tube. The upstream water pressure propels and spins the turbine, standoff support and brush. The rotating brush combined with the solution cleans the inside of the pipe. The solution flows out of the other end of the pipe with the brush rotation controlled by the flow-rate. A second embodiment is similar to the first embodiment but instead includes a circular shaped brush with ring backing mounted in the groove of the exterior ring of the turbine, and also reduces the size of the standoff support or eliminates the standoff support.

Werlink, Rudy J.↗

Descent Advisor Preliminary Field Test

A field test of the Descent Advisor (DA) automation tool was conducted at the Denver Air Route Traffic Control Center in September 1994. DA is being developed to assist Center controllers in the efficient management and control of arrival traffic. DA generates advisories, based on trajectory predictions, to achieve accurate meter-fix arrival times in a fuel efficient manner while assisting the controller with the prediction and resolution of potential conflicts. The test objectives were: (1) to evaluate the accuracy of DA trajectory predictions for conventional and flight-management system equipped jet transports, (2) to identify significant sources of trajectory prediction error, and (3) to investigate procedural and training issues (both air and ground) associated with DA operations. Various commercial aircraft (97 flights total) and a Boeing 737-100 research aircraft participated in the test. Preliminary results from the primary test set of 24 commercial flights indicate a mean DA arrival time prediction error of 2.4 seconds late with a standard deviation of 13.1 seconds. This paper describes the field test and presents preliminary results for the commercial flights.

Green, Steven M.↗

Ionospheric Variability and Storms on Mars

The goal of this grant was to conduct the first-ever study of ionospheric variability on Mars. To do so, we used data from the Radio Science (RS) experiment onboard the Mars Global Surveyor (MGS) satellite. Dr. David Hinson of the RS team at Stanford University was a most helpful and valuable colleague throughout the studies we conducted. For the initial RS datasets available from the MGS mission, there were no severe storms caused by solar wind activity, so we concentrated on day-to-day effects. This turned out to be a wise approach since understanding "normal variability" had to be done before any claim could be made about "space weather" effects. Our approach was three-fold: (1) select a good dataset for characterization of ionosphere variability at Mars, one for which excellent terrestrial data were also available. This turned out to be the period 9-27 March 1999; (2) once the variability at Mars was described, develop and use a new photochemical model of the martian ionosphere to find the extent to which solar variability on those days caused or contributed to the observed patterns; (3) use the results from the above, together with additional datasets from the MGS/RS experiment, to describe some practical consequences that the martian ionosphere would have upon NASA s proposed navigation and communications systems for Mars. The results of these studies showed that: (a) solar variability is the dominant source of ionospheric variability at Mars (during periods of quiet solar wind), (b) that current models do a good job in portraying such effects at the height of the ionospheric peak electron density, and (c) that ionospheric structure on Mars can affect attempts at precise position-fixing at Mars should relatively high (GPS-like) frequencies not be used in a Mars communications and navigation system.

Mendillo, Michael↗

Numerical Investigation of Ion Transport in the MOMA Ion Mass Spectrometer

The Mars Organic Molecule Analyzer (MOMA) is a miniature ion trap mass spectrometer designed for the upcoming ExoMars Rover mission. The spectrometer uses laser desorption to ionize a Martian soil sample within an instrument internal clean zone maintained at ambient Martian pressure. A high-speed aperture valve transiently opens to allow ionized constituents, along with the ambient gas, to enter a vacuum cavity containing a linear ion trap mass spectrometer. The ambient clean zone and the vacuum cavity are connected via a few centimeter long aperture valve ion guide tube. In this paper, we present results from a recently completed numerical investigation of ion transport from the ion source across the ion guide. Specifically, we focus on collisional coupling between ions and the neutral molecules flowing into the vacuum cavity. The simulation domain contains the ambient region, and we consider the variation in ion conductance with ambient pressure. We also analyze the impact of a fixed potential bias applied to the aperture valve. Simulations are performed with a two-dimensional axisymmetric PIC / DSMC code Starfish. Numerical results are compared to experimental data.

Breida, Lubos↗

DP-TwoLevel: two-stage gradient subspace learning for differentially private federated learning

Federated learning (FL) enables collaborative model training across distributed data sources without sharing raw data, but faces fundamental challenges in communication efficiency and privacy. Differentially private (DP) training mitigates information leakage but introduces noise that degrades model performance, especially in high-dimensional settings. We propose DP-TwoLevel, a hierarchical gradient projection method that improves utility under fixed DP constraints by exploiting low-dimensional structure in model updates. Our approach learns a two-level PCA-based representation of gradients and applies DP noise in a reduced-dimensional subspace, thereby lowering the effective noise magnitude while preserving dominant signal components. We evaluate the method across three datasets (MNIST, Fashion-MNIST, CIFAR-10) and three privacy regimes (ϵ∈0.5, 1.0, 2.0). Across nine experimental settings, DP-TwoLevel consistently outperforms DP-FedAvg, achieving an average accuracy improvement of 9.44%, with larger gains observed in lower ϵ(higher-noise) regimes (up to +22.31%). We further analyze scalability across models ranging from 100K to 1.49M parameters and identify a variance-based success criterion: performance remains strong when the projection preserves more than 75% of gradient variance, degrades in a marginal regime (65–75%), and fails below this threshold. Our results demonstrate that structure-aware dimensionality reduction can significantly improve the privacy–utility tradeoff in FL without modifying formal privacy guarantees. We also provide empirical evidence of scaling limitations for global projections and motivate per-layer extensions for larger models.

Kotevska, Olivera [ORNL] (ORCID:0000000316772243)↗

SORCE and Future Satellite Observations of Solar Irradiance

With solar activity just passing the maximum of cycle 23, SORCE is beginning a 5 year mission to measure total solar irradiance (TSI) with unprecedented accuracy using phase-sensitive detection, and to measure spectral solar irradiance (SSI) with unprecedented spectral coverage, from 1 to 2000 nm. The new Total Irradiance Monitor (TIM) has 4 active cavity radiometers, any one of which can be used as a fixed-temperature reference against any other that is exposed to the Sun via a shutter that cycles at a rate designed to minimize noise at the shutter frequency. The new Spectral Irradiance Monitor (SIM) is a dual Fery prism spectrometer that can employ either prism as a monochromatic source on the other prism, thus monitoring its transmission during the mission lifetime. Either prism can measure SSI from 200 to 2000 nm, employing the same phase-sensitive electrical substitution strategy as TIM. SORCE also carries dual SOLSTICE instruments to cover the spectral range 100-320 nm, similar to the instruments onboard UARS, and also an XUV Photometer System (XPS) similar to that on TIMED. SSI has now been added to TSI as a requirement of EOS and NPOESS, because different spectral components drive different components of the climate system - UV into upper atmosphere and stratospheric ozone, IR into tropospheric water vapor and clouds, and Visible into the oceans and biosphere. Succeeding satellite missions being planned for 2006 and 2011 will continue to monitor these critical solar variables.

Cahalan, Robert F.↗

Visual signal detection in structured backgrounds. II. Effects of contrast gain control, background variations, and white noise

Studies of visual detection of a signal superimposed on one of two identical backgrounds show performance degradation when the background has high contrast and is similar in spatial frequency and/or orientation to the signal. To account for this finding, models include a contrast gain control mechanism that pools activity across spatial frequency, orientation and space to inhibit (divisively) the response of the receptor sensitive to the signal. In tasks in which the observer has to detect a known signal added to one of M different backgrounds grounds due to added visual noise, the main sources of degradation are the stochastic noise in the image and the suboptimal visual processing. We investigate how these two sources of degradation (contrast gain control and variations in the background) interact in a task in which the signal is embedded in one of M locations in a complex spatially varying background (structured background). We use backgrounds extracted from patient digital medical images. To isolate effects of the fixed deterministic background (the contrast gain control) from the effects of the background variations, we conduct detection experiments with three different background conditions: (1) uniform background, (2) a repeated sample of structured background, and (3) different samples of structured background. Results show that human visual detection degrades from the uniform background condition to the repeated background condition and degrades even further in the different backgrounds condition. These results suggest that both the contrast gain control mechanism and the background random variations degrade human performance in detection of a signal in a complex, spatially varying background. A filter model and added white noise are used to generate estimates of sampling efficiencies, an equivalent internal noise, an equivalent contrast-gain-control-induced noise, and an equivalent noise due to the variations in the structured background.

NASA Discipline Space Human Factors↗

A Mixed Integer Linear Program for Airport Departure Scheduling

Aircraft departing from an airport are subject to numerous constraints while scheduling departure times. These constraints include wake-separation constraints for successive departures, miles-in-trail separation for aircraft bound for the same departure fixes, and time-window or prioritization constraints for individual flights. Besides these, emissions as well as increased fuel consumption due to inefficient scheduling need to be included. Addressing all the above constraints in a single framework while allowing for resequencing of the aircraft using runway queues is critical to the implementation of the Next Generation Air Transport System (NextGen) concepts. Prior work on airport departure scheduling has addressed some of the above. However, existing methods use pre-determined runway queues, and schedule aircraft from these departure queues. The source of such pre-determined queues is not explicit, and could potentially be a subjective controller input. Determining runway queues and scheduling within the same framework would potentially result in better scheduling. This paper presents a mixed integer linear program (MILP) for the departure-scheduling problem. The program takes as input the incoming sequence of aircraft for departure from a runway, along with their earliest departure times and an optional prioritization scheme based on time-window of departure for each aircraft. The program then assigns these aircraft to the available departure queues and schedules departure times, explicitly considering wake separation and departure fix restrictions to minimize total delay for all aircraft. The approach is generalized and can be used in a variety of situations, and allows for aircraft prioritization based on operational as well as environmental considerations. We present the MILP in the paper, along with benefits over the first-come-first-serve (FCFS) scheme for numerous randomized problems based on real-world settings. The MILP results in substantially reduced delays as compared to FCFS, and the magnitude of the savings depends on the queue and departure fix structure. The MILP assumes deterministic aircraft arrival times at the runway queues. However, due to taxi time uncertainty, aircraft might arrive either earlier or later than these deterministic times. Thus, to incorporate this uncertainty, we present a method for using the MILP with "overlap discounted rolling planning horizon". The approach is based on valuing near-term decision results more than future ones. We develop a model of taxitime uncertainty based on real-world data, and then compare the baseline FCFS delays with delays using the above MILP in a simple rolling-horizon method and in the overlap discounted scheme.

Gupta, Gautam↗

Core Noise: Overview of Upcoming LDI Combustor Test

This presentation is a technical summary of and outlook for NASA-internal and NASA-sponsored external research on core (combustor and turbine) noise funded by the Fundamental Aeronautics Program Fixed Wing Project. The presentation covers: the emerging importance of core noise due to turbofan design trends and its relevance to the NASA N+3 noise-reduction goal; the core noise components and the rationale for the current emphasis on combustor noise; and the current and planned research activities in the combustor-noise area. Two NASA-sponsored research programs, with particular emphasis on indirect combustor noise, "Acoustic Database for Core Noise Sources", Honeywell Aerospace (NNC11TA40T) and "Measurement and Modeling of Entropic Noise Sources in a Single-Stage Low-Pressure Turbine", U. Illinois/U. Notre Dame (NNX11AI74A) are briefly described. Recent progress in the development of CMC-based acoustic liners for broadband noise reduction suitable for turbofan-core application is outlined. Combustor-design trends and the potential impacts on combustor acoustics are discussed. A NASA GRC developed nine-point lean-direct-injection (LDI) fuel injector is briefly described. The modification of an upcoming thermo-acoustic instability evaluation of the GRC injector in a combustor rig to also provide acoustic information relevant to community noise is presented. The NASA Fundamental Aeronautics Program has the principal objective of overcoming today's national challenges in air transportation. The reduction of aircraft noise is critical to enabling the anticipated large increase in future air traffic. The Quiet Performance Research Theme of the Fixed Wing Project aims to develop concepts and technologies to dramatically reduce the perceived community noise attributable to aircraft with minimal impact on weight and performance.

Hultgren, Lennart S.↗

The X-Ray Core of the Low-Luminosity Radio Galaxy 3C346 and ASCA Spectroscopy to Test BL LAC/Radio Galaxy Unification

Radio galaxies are relatively faint sources for Advanced Spacecraft for Cosmology Astrophysics (ASCA), and so in order to get the best possible results from the observations two things have been necessary, both of which delayed the fast preparation of papers. Firstly, the best possible data screening and background subtraction were necessary to improve the signal-to-noise, and all our several initial analysis trials were discarded in favor of using FTOOLS versions 4.1 and above. Secondly, we found that the ASCA spectra were statistically too poor to discriminate well between non-thermal and thermal models, never mind the mixture of the two which we expected on the basis of our ROSAT spatial separation of components in radio galaxies. This means that in each case we have needed to combine the ASCA spectroscopy with analysis of data from other X-ray or radio observations in order to exploit the ASCA data to the full. Our analysis for 3C 346 has yielded the cleanest final result. This powerful radio galaxy at a redshift of 0.161, lies in a poor cluster, which we have separated well from the dominant X-ray component of unresolved emission using a spatial analysis of archival ROSAT data. We were then able to fix the thermal component in our ASCA spectral analysis, and have found evidence that the unresolved emission varied by 32 +/- 13% over the 18 months between the ROSAT and ASCA observations. The unresolved X-ray emission does not suffer from intrinsic absorption, and we have related it to radio structures on both milliarcsecond scales and the arcsecond scales which Chandra can resolve. The source is a target of a Chandra AO2 proposal which we have recently submitted to follow up on our ASCA (and ROSAT) work. 3C 346's orientation to the line of sight is uncertain. However, the absence of X-ray absorption, and the radio/optical/X-ray colors, when combined with with previous radio evidence that the source is a foreshortened radio galaxy of the FRII class, suggest that the radio jets are seen at an angle to the line of sight of about 30 deg, intermediate between the radio-galaxy and quasar classes. The relatively hard ASCA response has allowed us to place an upper limit of 5.6 x 10(exp 43) ergs/ s on the 2-10 keV luminosity of any central X-ray component absorbed bN, gas which might be obscuring the broad-line emission region. Attached to this report is an almost final draft of a paper which we have prepared for submission to the Astrophysical Journal. Our combined ASCA and ROSAT results for NGC 6251 rule out our previously preferred flat-spectrum model and inverse-Compton interpretation for the source based on ROSAT data alone, but a softer X-ray spectrum and moderate absorption bring all the available data (including our early VLA HI measurements) into consistency, and we are reasonably confident that we understand the processes responsible for the X-ray emission. We have made some more sensitive HI absorption measurements which are currently being analyzed, and our plans are to publish our ASCA analysis in conjunction with the new HI results. The ASCA data for NGC 4261 have been difficult to interpret. A re-analysis of our ROSAT data with a wider range of physical parameters brings the ROSAT and ASCA results into reasonable agreement only if the emission from hot gas dominates more than suggested by our earlier work, which is itself unexpected since the radio core is bright and a large jet-related X-ray component would bring the source into agreement with results for others of its type. However, we have recently received our Chandra A01 data for this source, with the spatial resolution which allows us to separate thermal and non-thermal emission components. Our ASCA results will be re-interpreted once the analysis of our Chandra data is complete. The interpretation of the ASCA data for BL Lac object 3C 371 is ongoing, in conjunction with analysis of archival multifrequency data. Radio galaxies are complex in their X-ray properties, and hindsight has shown that the spatial resolution of ASCA is too poor for a reliable interpretation of the data without drawing on other observations. However, the ASCA spectra have made a useful contribution to the interpretation of these sources, and the groundwork is now there for more sensitive work using Chandra and XMM-Newton.

Worrall, Diana↗

The AtmoSOFAR Channel: First Direct Observations of an Elevated Acoustic Duct

The Sound Fixing and Ranging (SOFAR) channel in the ocean allows for low frequency sound to travel thousands of kilometers, making it particularly useful for detecting underwater nuclear explosions. Suggestions that an elevated SOFAR-like channel should exist in the stratosphere date back over half a century and imply that sources within this region can be reliably sensed at vast distances. However, this theory has not been supported with evidence of direct observations from sound within this channel. Here we show that an infrasound sensor on a solar hot air balloon recorded the first infrasound detection of a ground truth airborne source while within this acoustic channel, which we refer to as the AtmoSOFAR channel. Our results support the existence of the AtmoSOFAR channel, demonstrate that acoustic signals can be recorded within it, and provide insight into the characteristics of recorded signals. Results also show a lack of detections on ground-based stations, highlighting the advantages of using balloon-borne infrasound sensors to detect impulsive sources at altitude.

54 ENVIRONMENTAL SCIENCES↗

What is flat ΛCDM, and may we choose it?

The Universe is neither homogeneous nor isotropic, but it is close enough that we can reasonably approximate it as such on suitably large scales. The inflationary-Λ-Cold Dark Matter (ΛCDM) concordance cosmology builds on these assumptions to describe the origin and evolution of fluctuations. With standard assumptions about stress-energy sources, this system is specified by just seven phenomenological parameters, whose precise relations to underlying fundamental theories are complicated and may depend on details of those fields. Nevertheless, it is common practice to set the parameter that characterizes the spatial curvature, Ω K , exactly to zero. This parameter-fixed ΛCDM is awarded distinguished status as separate model, "flat ΛCDM." Ipso facto this places the onus on proponents of "curved ΛCDM" to present sufficient evidence that Ω K ≠ 0, and is needed as a parameter. While certain inflationary model Lagrangians, with certain values of their parameters, and certain initial conditions, will lead to a present-day universe well-described as containing zero curvature, this does not justify distinguishing that subset of Lagrangians, parameters and initial conditions into a separate model. Absent any theoretical arguments, we cannot use observations that suggest small Ω K to enforce Ω K = 0. Our track record in picking inflationary models and their parameters a priori makes such a choice dubious, and concerns about tensions in cosmological parameters and large-angle cosmic-microwave-background anomalies strengthens arguments against this choice. We argue that Ω K must not be set to zero, and that ΛCDM remains a phenomenological model with at least 7 parameters.

79 ASTRONOMY AND ASTROPHYSICS↗

Exploring HOD-dependent systematics for the DESI 2024 Full-Shape galaxy clustering analysis

We analyze the robustness of the DESI 2024 cosmological inference from the full shape of the galaxy power spectrum to uncertainties in the Halo Occupation Distribution (HOD) model of the galaxy-halo connection and the choice of priors on nuisance parameters. We assess variations in the recovered cosmological parameters across a range of mocks populated with different HOD models and find that shifts are often greater than 20% of the expected statistical uncertainties from the DESI data. We encapsulate the effect of such shifts in terms of a systematic covariance term, C HOD , and an additional diagonal contribution quantifying the impact of our choice of nuisance parameter priors on the ability of the effective field theory (EFT) model to correctly recover the cosmological parameters of the simulations. These two covariance contributions are designed to be added to the usual covariance term, C stat , describing the statistical uncertainty in the power spectrum measurement, in order to fairly represent these sources of systematic uncertainty. This novel approach should be more general and robust to the choice of model or additional external datasets used in cosmological fits than the alternative approach of adding systematic uncertainties to the recovered marginalised parameter posteriors. We compare the approaches within the context of a fixed ΛCDM model and demonstrate that our method gives conservative estimates of the systematic uncertainty that nevertheless have little impact on the final posteriors obtained from DESI data.

79 ASTRONOMY AND ASTROPHYSICS↗

Annihilation of angular momentum bias during thrusting and spinning-up maneuvers

During spinning-up and thrusting maneuvers of rockets and spacecraft, undesired transverse torques (from error sources such as thruster misalignment, center-of-mass offset and thruster mismatch) perturb the angular momentum vector from its original orientation. In this paper a maneuver scheme is presented which virtually annihilates the angular momentum vector bias, even though the magnitude and direction of the perturbing body-fixed torques are unknown. In the analysis it is assumed that the torques are small and constant and that the spacecraft or rocket can be approximated by a rigid body, which may be asymmetric. Typical maneuvers of the Galileo spacecraft are simulated to demonstrate the technique.

Longuski, J. M.↗

A simulation of GPS and differential GPS sensors

The Global Positioning System (GPS) is a revolutionary advance in navigation. Users can determine latitude, longitude, and altitude by receiving range information from at least four satellites. The statistical accuracy of the user's position is directly proportional to the statistical accuracy of the range measurement. Range errors are caused by clock errors, ephemeris errors, atmospheric delays, multipath errors, and receiver noise. Selective Availability, which the military uses to intentionally degrade accuracy for non-authorized users, is a major error source. The proportionality constant relating position errors to range errors is the Dilution of Precision (DOP) which is a function of the satellite geometry. Receivers separated by relatively short distances have the same satellite and atmospheric errors. Differential GPS (DGPS) removes these errors by transmitting pseudorange corrections from a fixed receiver to a mobile receiver. The corrected pseudorange at the moving receiver is now corrupted only by errors from the receiver clock, multipath, and measurement noise. This paper describes a software package that models position errors for various GPS and DGPS systems. The error model is used in the Real-Time Simulator and Cockpit Technology workstation simulations at NASA-LaRC. The GPS/DGPS sensor can simulate enroute navigation, instrument approaches, or on-airport navigation.

Rankin, James M.↗

Simulating Local and Intercontinental Pollutant Effects of Biomass Burning: Integration of Several Remotely Sensed Datasets

Burning to clear land for crops and to destroy pests is an integral and largely unavoidable part of tropical agriculture. It is easy to note but difficult to quantify using remote sensing. This report describes our efforts to integrate remotely sensed data into our computer model of tropical chemical trace-gas emissions, weather, and reaction chemistry (using the MM5 mesoscale model and our own Global-Regional Atmospheric Chemistry Simulator). The effects of burning over the continents of Africa and South America have been noticed in observations from several satellites. Smoke plumes hundreds of kilometers long may be seen individually, or may merge into a large smoke pall over thousands of kilometers of these continents. These features are related to intense pollution in the much more confined regions with heavy burning. These emissions also translocate nitrogen thousands of kilometers in the tropical ecosystems, with large fixed-nitrogen losses balanced partially by locally intense fertilization downwind, where nitric acid is rained out. At a much larger scale, various satellite measurements have indicated the escape of carbon monoxide and ozone into large filaments which extend across the Tropical and Southern Atlantic Ocean. Our work relates the source emissions, estimated in part from remote sensing, in part from conventional surface reports, to the concentrations of these gases over these intercontinental regions. We will mention work in progress to use meteorological satellite data (AVHRR, GOES, and Meteosat) to estimate the surface temperature and extent and height of clouds, and explain why these uses are so important in our computer simulations of global biogeochemistry. We will compare our simulations and interpretation of remote observations to the international cooperation involving Brazil, South Africa, and the USA in the TRACE-A (Transport and Atmospheric Chemistry near the Equator - Atlantic) and SAFARI (Southern Africa Fire Atmosphere Research Initiative) and remote-sensing /aircraft/ecosystem observational campaigns.

Chatfield, Robert B.↗

Methods for Recording and Documenting Ambient Environmental Sound for use in Listening Devices

The potential for implementing Advanced Air Mobility (AAM) vehicles as a viable new transportation system into communities will likely be significantly affected by the psychoacoustic impact of these new noise sources into the existing ambient soundscape. This document addresses a need within the research community for a consistent means of documenting recordings of the ambient soundscape via a metadata framework (Rizzi, et al. 2020). Such recordings can provide a cognitive context for AAM vehicle sounds, as well as a fixed condition or independent variable against which experimental manipulations of vehicle sounds can be evaluated in listening tests. This document also provides recommendations for recording and reproduction techniques of ambient sound. A brief review is made of the use of ambient recordings in prior aircraft noise studies, and of psychoacoustic motivations for its implementation is reviewed from the fields of soundscape, auditory scene analysis, and time-varying partial specific loudness research.

urban air mobility↗

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer

Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and molecular properties. Furthermore, its excellent scalability with system complexity and near-perfect utilization of computational power make FN-DMC ideally positioned to leverage new advances in computing to address increasingly complex scientific problems. Even though the method is widely used as a computational gold standard, reproducibility across the numerous FN-DMC code implementations has yet to be demonstrated. This difficulty stems from the diverse array of DMC algorithms and trial wave functions, compounded by the method’s inherent stochastic nature. Here, this study represents a community-wide effort to assess the reproducibility of the method, affirming that yes, FN-DMC is reproducible (when handled with care). Using the water–methane dimer as the canonical test case, we compare results from eleven different FN-DMC codes and show that the approximations to treat the non-locality of pseudopotentials are the primary source of the discrepancies between them. In particular, we demonstrate that, for the same choice of determinantal component in the trial wave function, reliable and reproducible predictions can be achieved by employing the T-move, the determinant locality approximation, or the determinant T-move schemes, while the older locality approximation leads to considerable variability in results. These findings demonstrate that, with appropriate choices of algorithmic details, fixed-node DMC is reproducible across diverse community codes—highlighting the maturity and robustness of the method as a tool for open and reliable computational science.

Della Pia, Flaviano [Univ. of Cambridge (United Ki↗