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387 Research products, page 1 of 39

  • Research software
  • 2018-2022
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  • Open Source English
    Authors: 
    Biagioni, David; Skordilis, Erotokritos; Tripp, Charles; Duplyakin, Dmitry; St. John, Peter;
    Publisher: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    This library includes in-progress code for the optimization of materials and molecules using reinforcement learning. This project seeks to develop a generalized machine learning approach for optimizing targeted, and often complex, functional properties over the space of...

  • Research software . 2022
    Open Source English
    Authors: 
    Pillai, Rishi; Romedenne, Marie; Lee, Sangkeun;
    Publisher: Not Available

    The modeling tool developed in the current project provides lifetime assessment of three candidate materials 740H, 282 and 625 for sCO2/molten salts heat exchanger. The tool incorporated physics-based models that accounted for all relevant underlying degradation mechani...

  • Open Source English
    Authors: 
    Yelick, Katherine A; Oliker, Leonid; Awan, Muaaz Gul;
    Publisher: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

    GPU-BSW is a version of Smith-Waterman alignment algorithm which has been optimized to perform large number of sequence alignments on GPUs.

  • Research software . 2019
    Open Source English
    Authors: 
    Herrera, Aram Avila;
    Publisher: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

    These are miscellaneous utility functions that Ive developed and found useful in working with sequencing counts. Purpose: To collect often reused procedures in one open source location that can be shared and worked on publicly, and perhaps contributed back to other open...

  • Research software . 2018
    Open Source English
    Authors: 
    McMillan, Colin; Narwade, Vinayak;
    Publisher: National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    The Industry Energy Tool (IET) is an open-source calculator tool designed for projecting energy and emissions impacts of industrial sector energy efficiency, material efficiency, and fuel switching. Projections are available at the county and Census Region levels. The I...

  • Research software . 2022
    Open Source English
    Authors: 
    Windus, Theresa; Baseman, Kevin;
    Publisher: Ames Laboratory (AMES), Ames, IA (United States)

    Reaction Rover is a software application designed to enable reaction optimization with little or no human intervention and to provide a flexible platform to facilitate rapid testing, automation, and implementation of new reaction optimization algorithms. Toward these go...

  • Open Source English
    Authors: 
    Lupo Pasini, Massimiliano; Reshniak, Viktor; Stoyanov, Miroslav;
    Publisher: Not Available

    We propose a stable, distributed approach to perform AA that accelerates the convergence rate of stochastic first-order optimizers to train neural networks. Differently from previous works, we do not alter neither the scheme to perform AA nor the loss function minimized...

  • Research software . 2021
    Open Source English
    Authors: 
    Blum, David; Zhang, Kun;
    Publisher: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

    This software package contains a simple calculator that can be used to estimate savings from implementing a retrofit of HVAC controls to ASHRAE Guideline 36 in a multi-zone office building. Implemented in Excel, the calculator has a user-interface front-end to configure...

  • Open Source English
    Authors: 
    PHATAK, CHARUDATTA; MCCRAY, ARTHUR;
    Publisher: Argonne National Laboratory (ANL), Argonne, IL (United States)

    A neural network for segmenting and processing Lorentz TEM images of skyrmion lattices. This software based on U-Net architecture is capable of identifying skyrmions in out-of-focus Lorentz TEM images based on training data. This isspecifically useful for analyzing larg...

  • Research software . 2019
    Open Source English
    Authors: 
    Agbo, Peter;
    Publisher: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

    This program a new physical insight regarding efforts to evaluate electrochemical catalysts being developed for electrochemical energy conversion and storage. In particular, we ask: The methodology described here offers a solution to the problem of how to conduct Tafel ...