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At least 271 records · Page 15

Abstraction hierarchy to define biofoundry workflows and operations for interoperable synthetic biology research and applications

Lack of standardization in biofoundries limits the scalability and efficiency of synthetic biology research. Here, we propose an abstraction hierarchy that organizes biofoundry activities into four interoperable levels: Project, Service/Capability, Workflow, and Unit Operation, effectively streamlining the Design‑Build‑Test‑Learn (DBTL) cycle. This framework enables more modular, flexible, and automated experimental workflows. It improves communication between researchers and systems, supports reproducibility, and facilitates better integration of software tools and artificial intelligence. Our approach lays the foundation for a globally interoperable biofoundry network, advancing collaborative synthetic biology and accelerating innovation in response to scientific and societal challenges.

Kim, Haseong↗

Firm Synthesizer and Supply-chain Simulator (SynthFirm) v2.0

SynthFirm is a national-scale agent-based freight demand model which generates a complete synthetic population of firms in the U.S. and the business-to-business commodity flows between them. Using publicly available data sources as inputs, SynthFirm simulates detailed firm and fleet characteristics, commodity production and consumption, formation of supply chains, and selection of shipping modes, all of which are essential drivers of commodity flow at a disaggregate level. The SynthFirm 2.0 version includes national commercial vehicle fleet generation, international trade simulation and automized model validation pipeline, which allows seemless deployment across the nation and build a comprehensive freight inventories at national scale or for selected region.

Yang, Hung-Chia [Lawrence Berkeley National Labora↗

Data analysis and modeling pipelines for controlled networked social science experiments

There is large interest in networked social science experiments for understanding human behavior at-scale. Significant effort is required to perform data analytics on experimental outputs and for computational modeling of custom experiments. Moreover, experiments and modeling are often performed in a cycle, enabling iterative experimental refinement and data modeling to uncover interesting insights and to generate/refute hypotheses about social behaviors. The current practice for social analysts is to develop tailor-made computer programs and analytical scripts for experiments and modeling. This often leads to inefficiencies and duplication of effort. In this work, we propose a pipeline framework to take a significant step towards overcoming these challenges. Our contribution is to describe the design and implementation of a software system to automate many of the steps involved in analyzing social science experimental data, building models to capture the behavior of human subjects, and providing data to test hypotheses. The proposed pipeline framework consists of formal models, formal algorithms, and theoretical models as the basis for the design and implementation. We propose a formal data model, such that if an experiment can be described in terms of this model, then our pipeline software can be used to analyze data efficiently. The merits of the proposed pipeline framework is elaborated by several case studies of networked social science experiments.

97 MATHEMATICS AND COMPUTING↗

Contech to Accelerate Cleantech: Seeding Emerging Innovation Programs for Construction Productivity and Energy Efficiency Integration; Preprint

Investments in U.S.-based start-ups that focus on advanced building construction technologies to increase construction productivity (contech) surged to approximately $3.1 billion in 2018 (as per Crunchbase data). More recently, emerging programs by government funding agencies, philanthropic foundations, and venture capitalists have been instrumental in supporting contech start-ups for innovations that increase productivity of energy efficiency integration and accelerate clean energy technologies (cleantech) for the buildings sector. These programs include R&D support and funding mechanisms for contech and cleantech. Traditionally, contech and cleantech are considered as two different innovation ecosystems. To enhance and scale up energy efficiency in buildings, creative programs that bring together contech and cleantech are critical. This paper provides a landscape assessment of the "contech-for-cleantech" innovation ecosystem in the U.S. and its impact in accelerating technology readiness and the development pipeline of "contech-for-cleantech". Technologies highlighted are robotics for retrofits, prefabrication of energy-efficient products, and advanced manufacturing of low-carbon net-zero buildings construction. Programs discussed include those led by (1) government funding agencies: American-Made Challenges with prizes like E-ROBOT for retrofits with robotics, (2) philanthropic foundations: Wells Fargo Innovation Incubator (IN2) that includes focus on energy efficiency and prefabrication, and (3) venture capitalists: Shadow Ventures Green Building Accelerator program which provides funding support to start-ups with ambitious plans for decarbonizing the built environment. This paper will also expand upon robust processes and criteria involved in judging and down-selection of start-ups through vetting and feedback from national lab researchers and industry experts in both cleantech and contech.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Probabilistic Modeling of Commercial Building Occupancy Patterns Using Location-Based Map Data: Preprint

Considering occupancy patterns is crucial to simulate buildings' energy use. Current energy models use inputs that simplify the actual diversity in occupancy into static occupancy patterns and are not able to represent the numerous variations in occupancy patterns between buildings and across different locations. Recently, inferring occupancy schedules from metered electricity consumption data was used to model occupancy in commercial buildings. However, the translation from metered data to occupancy schedules requires many assumptions that might not capture the reality, and the process is hindered by the availability of data from advanced metering infrastructure. With the development of information technologies, occupancy modeling should not be limited to traditional approaches. The prevalence of social networks and location services with real-time user feedback provides publicly accessible data via Maps Application Programming Interfaces (APIs) such as Google Maps, SafeGraph, Mapbox, Foursquare, etc. This paper presents an automated framework for modeling parametric occupancy patterns using such APIs to calibrate commercial district buildings' energy models. This process includes three main steps: data extraction and processing, parametric schedules generation, and schedules integration. We demonstrated this framework in districts where we used maps API to generate more accurate behavioral patterns for operations and electric vehicle charging events. We used these patterns to determine differences in energy use across key sociodemographic and spatial parameters. The presented method has the potential for worldwide applications. Users can utilize this framework to extract data for selected locations of interest to create more realistic behavioral patterns for commercial facilities across different districts.

building energy modeling↗

VizBrick: A GUI-based Interactive Tool for Authoring Semantic Metadata for Building Datasets

Brick ontology is a unified semantic metadata schema to address the stand-ardization problem of buildings' physical, logical, and virtual assets and the relationships between them. Creating a Brick model for a building dataset means that the dataset's contents are semantically described using the standard terms defined in the Brick ontology. It will enable the benefits of data standardization, without having to recollect or reorganize the data and opens the possibility of automation leveraging the machine readability of the semantic metadata. The problem is that authoring Brick models for building datasets often requires knowledge of semantic technology (e.g., on-tology declarations and RDF syntax) and leads to repeated manual trial and error processes, which can be time-consuming and challenging to do with-out an interactive visual representation of the data. We developed VizBrick, a tool with a graphical user interface that can assist users in creating Brick models visually and interactively without having to understand the Re-source Description Framework (RDF) syntax. VizBrick provides handy ca-pabilities such as keyword search for easy find of relevant brick concepts and relations to their data columns and automatic suggestions of concept mapping. In this demonstration, we present a use-case of VizBrick to show-case how a Brick model can be created for a real-world building dataset.

Lee, Sangkeun (Matt)↗

Residential Building Energy Efficiency Field Studies: Low-Rise Multifamily

In recent years, the U.S. Department of Energy (DOE) has conducted a series of research studies to validate energy efficient building technologies in the field. Much of the work has focused on single-family construction, and some has also addressed commercial energy codes. The work detailed in this DOE-funded study (EE0007616) focuses on low-rise multifamily buildings (three stories or fewer above grade) in various regions of the United States, and reports on how state-level building codes are being implemented, both in terms of observed characteristics and also in terms of estimated energy impacts. Nearly 100 buildings across four states—Illinois, Minnesota, Oregon, and Washington—were sampled, which represent a range of climate types from mild temperature to very cold continental. Both common entry and outdoor entry buildings were included, and a parallel research project evaluated envelope air tightness and current still-evolving air tightness testing methods. Finally, a set of structured interviews of building designers and other relevant professionals was carried to out to gain more insight into this market. To the greatest extent possible, the methodology developed under the project for low-rise multifamily buildings mirrored the approach established by Pacific Northwest National Laboratory (PNNL) for single-family residential buildings (https://www.energy.gov/eere/buildings/downloads/residential-building-energy-code-field-study). This included the general approach to sampling, recruitment, and data collection, as well as data analysis and presentation. The range of permitting dates for the sites encompassed two energy code cycles in most regions. All states in the study had adopted a variation of the International Energy Conservation Code (IECC) for the structure of their state code. The low-rise multifamily occupancy presents a hybrid building type: most of the building’s conditioned floor area was covered by the residential chapter of the code while portions of the building (such as corridors and common spaces) fell under the commercial code chapter. The key items assessed in this work were: Building Shell—exterior wall insulation, ceiling insulation, foundation insulation, windows. Common Areas—HVAC and lighting. Living Units—lighting, ventilation. A few items were not assessed in detail, given their relative paucity in this occupancy type; these included duct leakage, pipe insulation, and hot water circulation controls. Building characteristics were collected via a combination of architectural, mechanical, electrical, and plumbing plan reviews and field inspections, and entered into a spreadsheet-based tool that was later queried to build a database. Data went through quality control both upon arrival and via a later semi-automated review and assurance process. Most of the data are presented graphically so that the reader can quickly assess compliance with the applicable energy codes (both by state and by code year). As a final step, EnergyPlus™ simulations were created for all buildings in the study to estimate both the as-found energy use intensity (EUI) and the energy and CO 2 that could be saved if features that were found to not meet code minimums were brought up to code. The savings estimates were tabulated for each of the four states in the study. The research team found that the single-family approach was largely applicable to low-rise multifamily buildings. This applies to both the data collection and the prototype EUI analysis. Most of the occupied space is living units and falls under residential energy codes, and many characteristics use similar envelope construction and relatively straightforward mechanical systems and lighting. One of the most challenging aspects of this work was to build an effective spreadsheet-based data collection instrument that could allow efficient collection of both building plan and field data. The research team is of the view that other methods could be equally effective if the work is done carefully with diligent quality control. The primary findings for the work center around the thermal envelope and mechanical systems and lighting at the sites: For thermal envelope components, the majority of buildings met or were better than the prescriptive code.This suggests that building designers and builders are aware of code requirements. In some cases, surveyed buildings were designed to qualify for energy efficiency certification programs. These buildings made up at least 20% of sampled buildings in each state. Almost all buildings met mechanical system efficiency requirements (for both living units and common areas). In some cases, sites employed systems that were considerably more efficient than required by the applicable energy code. Dwelling units had a majority of high-efficacy lighting, often in excess of the state’s residential code requirements. While high-efficacy fixtures were also typical in common areas (corridors and stairwells), lighting power densities (LPDs) in these areas were sometimes higher than levels dictated by the applicable part of the state commercial energy code. The simulation models run on a series of low-rise multifamily prototypes, informed by a composite of the field data collected, calculated annual EUIs of between 20 and 50 kBtu/ft2-yr, with the range representing the effects of both building characteristics and building location (climate zone). A detailed process (based on simulations of prototype buildings) was used to estimate the amount of avoided energy use that would occur if 100% adherence to energy codes were attained. The results indicated modest savings are attainable for items such as window thermal performance and common area lighting. The result is overall only a modest potential for additional energy savings, averaging about 10% of EUI.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Workflow Submit Nodes as a Service on Leadership Class Systems

DOE scientists, today, have access to high performance computing (HPC) facilities with very powerful systems that enable them to execute their computations faster, more efficiently, and at greater scales than ever before. To further their knowledge and produce new discoveries, scientists rely on workflows - sometimes very complex - that provide them with an easy way to automate, reproduce and verify their computations. However, historically, creating workflow submission environments in large HPC facilities has been cumbersome, requires expertise and many man-hours of effort due to the peculiarities, policies, and the restrictions that these systems present. In this paper we discuss the approach a large DOE facility (OLCF) is taking in order to provide containers as a service to its users. This capability is used to create Pegasus workflow management system submit nodes as a service (WSaaS) at the Oak Ridge Leadership Computing Facilities (OLCF), targeting the Summit supercomputer. This deployment builds upon the Kubernetes/Openshift cluster (Slate) that exists within OLCF’s DMZ and its automation triggers. Additionally, we evaluate our approach’s overhead and effort to deploy the solution as compared to previous solutions, such as setting up a Pegasus submission environment on OLCF’s login nodes or submitting jobs remotely via the rvGAHP.

Papadimitriou, George↗

EnergyPlus Model Context Protocol Server (EnergyPlus-MCP) v0.1

EnergyPlus-MCP is the first open-source Model Context Protocol server specifically designed for EnergyPlus building energy simulation. This innovative software enables AI assistants and other applications to interact programmatically with EnergyPlus through a standardized, secure interface, eliminating traditional technical barriers in building energy modeling. The software provides specialized tools across five functional domains: server management, model configuration and loading, comprehensive building component inspection, systematic model modification, and simulation execution with results visualization. Key features include automated HVAC system discovery and topology mapping, advanced schedule analysis, intelligent model validation, and interactive visualization capabilities. EnergyPlus-MCP's layered architecture ensures robust separation between protocol communication and domain expertise, enabling scalable deployment across organizations, educational institutions, and research teams. Unlike direct LLM approaches that suffer from inconsistent results and security gaps, EnergyPlus-MCP provides validated, reliable interactions while maintaining scientific rigor. This democratizes sophisticated building energy analysis, making EnergyPlus accessible to broader audiences through conversational interfaces and streamlined workflows.

Li, Han [Lawrence Berkeley National Laboratory (LB↗

Cloud-based implementation of white-box model predictive control for a GEOTABS office building: A field test demonstration

Model predictive control (MPC) has been proven in simulations and pilot case studies to be a superior control strategy for large buildings. MPC can utilize the weather and occupancy schedule forecasts, together with the system model, to predict the future thermal behavior of the building and minimize the overall energy use and maximize thermal comfort. However, these advantages come with the cost of increased modeling effort, computational demands, communication infrastructure, and commissioning efforts. Thus a typical approach is to, often rapidly, simplify the building modeling and MPC optimization problem while paying a price of not reaching the full performance potential. It has been shown that by employing accurate physics-based models, MPC performance can be notably increased closer to its theoretical performance bound. However, implementation of such high-fidelity MPC in real buildings remains a challenge, resulting in a lack of successful field test studies. This work presents the methodology and field test demonstration of a computationally efficient implementation of the white-box MPC in an office building in Belgium. The detailed model of the building is based on first-principle physical equations. The deployment and supervision of MPC operation in a practical setting are supported by an automated cloud-based communication infrastructure. The motivating factor behind the cloud-based architecture is its compatibility with a commercially appealing control as a service concept. The building is equipped with a ground source heat pump (GSHP) and thermally activated building structures (TABS), where the combination of both is also known as GEOTABS. From a control perspective, GEOTABS buildings are particularly challenging systems due to large scale, complex heating, ventilation and air conditioning (HVAC) system, and slow dynamics with time delays. On the other hand, there is an increased potential for energy savings due to the high thermal mass, which acts as thermal storage. The MPC operation is demonstrated during the challenging transient seasons (switching between heating and cooling), and its performance is compared to a traditional rule-based controller (RBC). We provide a proof of concept of real MPC operation for the most difficult seasons with notable GSHP energy use savings equal to 53.5% and thermal comfort improvement by 36.9%. Other MPC applications found in the literature describe tests for only cooling or only heating, and up to now only for a black-box or a grey-box approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modeling Air Handling Units to Create a Diverse Fault Dataset for FDD Innovation: Lessons Learned and Recommendations

As energy management and information systems (e.g., automated fault detection and diagnostics [AFDD] tools) become more prevalent in the commercial building stock, it is important to determine the effectiveness of these technologies by benchmarking their performance. The authors have been working to develop the largest publicly available dataset of HVAC fault datasets for performance benchmarking applications, covering the most common HVAC systems and designs including chiller plants, rooftop packaged units, dual duct air handling unit and single duct air handling units. This study covers the development, modeling, and validation of a synthetic fault dataset for the air handling unit (AHU), one of the most common HVAC configurations found in the commercial building stock. Despite this being a common system, real-world time series data are scarce and usually do not span a wide range of weather conditions. Due to this limitation, two detailed AHU models, which included the single duct AHU and dual duct AHU developed in the Modelica language and HVACSIM+ were employed to carry out annual simulations of numerous common sensor faults, mechanical faults, and control sequence faults. The fault inclusive data were then validated by comparing fault effects on system performance to expected symptoms. We summarize the nature of each fault and their impacts under different weather and operation conditions. We report some lessons learnt during the efforts of validating the high volumes of the FDD data sets. Finally, we highlight considerations for FDD developers that may want to use this dataset to assess their algorithms’ performance and their improvement over time.

Casillas, Armando↗

Development of a Annual Air Handling Unit Fault Dataset for FDD Tools: Lessons Learned and Considerations for FDD Developers

As energy management and information systems (e.g., automated fault detection and diagnostics [AFDD] tools) become more prevalent in the commercial building stock, it is important to determine the effectiveness of these technologies by benchmarking their performance. The authors have been working to develop the largest publicly available dataset of HVAC fault data for performance benchmarking applications, covering the most common HVAC systems and designs including chiller plants, rooftop packaged units, dual duct air handling units and single duct air handling units. This study covers the development, modeling, and validation of a synthetic fault dataset for a single duct air handling unit (AHU), one of the most common HVAC configurations found in the commercial building stock. Despite this being a common system, real-world time series data are scarce and usually do not span a wide range of weather conditions. Due to this limitation, a detailed AHU model was employed to carry out annual simulations of numerous common sensor and mechanical faults, which were then validated by comparing their effects on system performance to expected symptoms. We summarize the nature of each fault and their impacts under different weather and operation conditions. Finally, we highlight considerations for FDD developers that may want to use this dataset to assess their algorithms’ performance and their improvement over time.

Casillas, Armando↗

DeepHyper: A Python Package for Massively Parallel Hyperparameter Optimization in Machine Learning

Machine learning models are increasingly applied across scientific disciplines, yet their effectiveness often hinges on heuristic decisions—such as data transformations, training strategies, and model architectures—that are not learned by the models themselves. Automating the selection of these heuristics and analyzing their sensitivity is crucial for building robust and efficient learning workflows. DeepHyper addresses this challenge by democratizing hyperparameter optimization, providing accessible tools to streamline and enhance machine learning workflows from a laptop to the largest supercomputer in the world. Building on top of hyperparameter optimization, it unlocks new capabilities around ensembles of models for improved accuracy and uncertainty quantification. All of these organized around efficient parallel computing.

ensemble↗

Measuring Mobility Potential: A Novel Metric to Quantify Mobility Energy Productivity (MEP) of Transportation Systems

For nearly a century, the automobile has been the primary mode of personal transportation in American life. This remains true today as millions of people rely heavily on cars to connect suburbs with cities or to travel long distances - often out of routine or convenience. However, advances in technology are fueling an era of transportation transformation, with the potential to transform a system that has remained virtually unchanged for decades. The challenges of interconnecting our cities and creating a cross-continental transportation system for military purposes spawned the interstate highway system, generating the age of the automobile. In this century, congestion and mobility challenges of rising urban populations are spawning ever-evolving mobility and communications technologies to connect people to goods, services, and employment within a metropolitan and national context - all of which define a high quality of life. Aspiring smart cities are wrestling with questions such as: How does mobility impact a person's quality of life? Would people make different travel choices if they were presented with better information about their mobility options? Would businesses make different location decisions if they could assess the quality of mobility in that area? The ability to quantify the quality of mobility at a given location is the first step toward answering these questions. In response, an interdisciplinary team at the National Renewable Energy Laboratory (NREL) has developed the Mobility-Energy Productivity (MEP) metric. The MEP metric provides an avenue to not only measure the quality of mobility at a specific location in its current configuration, but also to test how various technological advances (e.g., connected and automated vehicles, plug-in electric vehicles, shared mobility) and infrastructure investments (e.g., building an additional highway lane, constructing a new shopping mall, implementing a transit-oriented development) impact the mobility of that location over time.

30 DIRECT ENERGY CONVERSION↗

Urban Traveler - Changes and Impacts: Mobility Energy Productivity (MEP) Metric

For nearly a century, the automobile has been the primary mode of personal transportation in American life. This remains true today as millions of people rely heavily on cars to connect suburbs with cities or to travel long distances—often out of routine or convenience. However, advances in technology are fueling an era of transportation transformation, with the potential to transform a system that has remained virtually unchanged for decades. Aspiring smart cities are wrestling with questions such as: How does mobility impact a person’s quality of life? Would people make different travel choices if they were presented with better information about their mobility options? The ability to quantify the mobility potential of a given location is the first step toward answering these questions. In response, an interdisciplinary team at the National Renewable Energy Laboratory (NREL) has developed the Mobility-Energy Productivity (MEP) metric. The MEP metric provides an avenue to not only measure the mobility potential at a specific location in its current configuration, but also to test how various technological advances (e.g., connected and automated vehicles, plug-in electric vehicles, shared mobility) and infrastructure investments (e.g., building an additional highway lane, constructing a new shopping mall, implementing a transit-oriented development) impact the mobility of that location over time. This presentation details the FY19 progress on the MEP metric project funded through DOE VTO's SMART Mobility Consortium.

47 OTHER INSTRUMENTATION↗

Building a Simplistic Automatic Extruder: Instrument Development Opportunities for the Laboratory

This work presents an automatic extruder as a research experience for undergraduate students. The system offers a user-friendly approach to preparing vesicles, such as liposomes or polymersomes, with a defined size and polydispersity properties crucial for research in biology and macromolecules. It comprises two syringe pumps connected by a membrane filter. The setup is controlled by software. Compared to manual extrusion, this automated system provides advantages, such as precisely controlled variables. The project describes a tool to enhance undergraduate learning in science and engineering laboratories. Building an automatic extruder serves as a simplified model of a complex industrial process. It offers a clear advantage: automating a well-understood manual extrusion process. To make this project accessible, it is broken down into three manageable tasks: software development, hardware assembly, and testing procedures. This breakdown describes the software created, the hardware components used, and the testing procedures conducted for this project. All project data, including software code, testing data, and procedures, are freely available online. This allows undergraduate students to not only begin their own projects but also contribute to this educational instrument’s ongoing development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Towards Automated Design of Polymer Precursors for Rational Design of Porous Carbon-Materials [Slides]

Overview: Developed capability enables easy building of realistic polymer structures and a straightforward evaluation of polymer properties using different computational approaches. Topics of relevance to LANL mission: fundamental understanding of gas, vapor, ion, and liquid transport in polymer materials with applications in carbon capture, clean energy, hydrogen production (e.g., fuel cells and electrolyzes); Toxic element removal; Design of polymer binders in explosives. Workforce Development: Project provided a valuable opportunity to for a PI to manage a LANL research effort, expand collaborations (e.g., MPA division), and establish research topic that aligns with the LANL mission; The capability built was highlighted in the proposal "Versatile Polyolefins-Based Ionomer Platform for Next Generation Polymer Electrolyte Membrane and Hydrogen Production" lead by InnoSense LLC in collaboration with MPA-1 and T-1 as a response to DOE's call DE-FOA-0003003: Science Foundations for Energy Earthshots.

36 MATERIALS SCIENCE↗

OpenStudio®-MCP [SWR-26-035]

OpenStudio®-MCP is a Model Context Protocol (MCP) server that lets AI assistants perform building energy modeling through natural language. Rather than requiring users to learn the OpenStudio® SDK, EnergyPlus® scripting, or Ruby/Python automation, the server translates conversational requests into sequences of tool calls that create models, design HVAC systems, run simulations, and extract results — all within a single chat session. The server's 124 tools are organized into a skills architecture where each skill encapsulates a domain of building energy modeling (envelope, HVAC, loads, weather, simulation, results) behind typed, LLM-friendly interfaces. High-leverage operations like applying ASHRAE 90.1 baseline systems or generating standards-compliant typical buildings are exposed as single tool calls that internally wire dozens of OpenStudio® objects. Bundled measures from ComStock™ and Openstudio® -common-measures-gem are wrapped with dedicated tools and typed arguments rather than exposed through a generic measure interface, so AI models get consistent, error-resistant recipes without needing to discover measure arguments at runtime. A key design decision is structured results extraction: six SQL-based tools return surgical ~300–1,000 token responses (end-use breakdowns, envelope summaries, HVAC sizing, timeseries data) instead of requiring the AI to parse ~100K-token raw HTML reports, making iterative design exploration practical within context window limits. The codebase is designed as a reference implementation — explicit, well-commented, and modular — so that other simulation engines (EnergyPlus® standalone, TRNSYS, DOE-2) can use it as a template for building their own MCP servers.

Ball, Brian [National Laboratory of the Rockies (N↗