skip to main content
Explore Scholarly Publications and Datasets in the NSF-PAR

  • Home
  • Search Results
  • Page 1 of 2

Search for: All records

Creators/Authors contains: "Iyengar, Srinivasan"

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

  1. ; ( , Journal of Chemical Theory and Computation)
    Free, publicly-accessible full text available May 10, 2023
  2. ; ; ( , Journal of Chemical Theory and Computation)
    Free, publicly-accessible full text available November 9, 2022
  3. ; ; ; ; ( , Journal of Chemical Theory and Computation)
    Free, publicly-accessible full text available November 9, 2022
  4. ; ; ; ; ( , ACM/IMS Transactions on Data Science)
    Buildings consume over 40% of the total energy in modern societies, and improving their energy efficiency can significantly reduce our energy footprint. In this article, we present WattScale, a data-driven approach to identify the least energy-efficient buildings from a large population of buildings in a city or a region. Unlike previous methods such as least-squares that use point estimates, WattScale uses Bayesian inference to capture the stochasticity in the daily energy usage by estimating the distribution of parameters that affect a building. Further, it compares them with similar homes in a given population. WattScale also incorporates a fault detection algorithmmore »to identify the underlying causes of energy inefficiency. We validate our approach using ground truth data from different geographical locations, which showcases its applicability in various settings. WattScale has two execution modes—(i) individual and (ii) region-based, which we highlight using two case studies. For the individual execution mode, we present results from a city containing >10,000 buildings and show that more than half of the buildings are inefficient in one way or another indicating a significant potential from energy improvement measures. Additionally, we provide probable cause of inefficiency and find that 41%, 23.73%, and 0.51% homes have poor building envelope, heating, and cooling system faults, respectively. For the region-based execution mode, we show that WattScale can be extended to millions of homes in the U.S. due to the recent availability of representative energy datasets.« less
    Full Text Available 
  5. ; ( , Journal of Chemical Theory and Computation)
    Full Text Available 
  6. ; ; ( , International Journal of Quantum Chemistry)
    Full Text Available 
  7. ; ; ; ; ; ( , Eleventh ACM International Conference on Future Energy Systems)
    Reducing our reliance on carbon-intensive energy sources is vital for reducing the carbon footprint of the electric grid. Although the grid is seeing increasing deployments of clean, renewable sources of energy, a significant portion of the grid demand is still met using traditional carbon-intensive energy sources. In this paper, we study the problem of using energy storage deployed in the grid to reduce the grid's carbon emissions. While energy storage has previously been used for grid optimizations such as peak shaving and smoothing intermittent sources, our insight is to use distributed storage to enable utilities to reduce their reliance onmore »their less efficient and most carbon-intensive power plants and thereby reduce their overall emission footprint. We formulate the problem of emission-aware scheduling of distributed energy storage as an optimization problem, and use a robust optimization approach that is well-suited for handling the uncertainty in load predictions, especially in the presence of intermittent renewables such as solar and wind. We evaluate our approach using a state of the art neural network load forecasting technique and real load traces from a distribution grid with 1,341 homes. Our results show a reduction of >0.5 million kg in annual carbon emissions --- equivalent to a drop of 23.3% in our electric grid emissions.« less
    Full Text Available 
  8. ; ( , Faraday Discussions)
    We present two methods that address the computational complexities arising in hydrogen transfer reactions in enzyme active sites. To address the challenge of reactive rare events, we begin with an ab initio molecular dynamics adaptation of the Caldeira–Leggett system-bath Hamiltonian and apply this approach to the study of the hydrogen transfer rate-determining step in soybean lipoxygenase-1. Through direct application of this method to compute an ensemble of classical trajectories, we discuss the critical role of isoleucine-839 in modulating the primary hydrogen transfer event in SLO-1. Notably, the formation of the hydrogen bond between isoleucine-839 and the acceptor-OH group regulates themore »electronegativity of the donor and acceptor groups to affect the hydrogen transfer process. Curtailing the formation of this hydrogen bond adversely affects the probability of hydrogen transfer. The second part of this paper deals with complementing the rare event sampled reaction pathways obtained from the aforementioned development through quantum nuclear wavepacket dynamics. Essentially the idea is to construct quantum nuclear dynamics on the potential surfaces obtained along the biased trajectories created as noted above. Here, while we are able to obtain critical insights on the quantum nuclear effects from wavepacket dynamics, we primarily engage in providing an improved computational approach for efficient representation of quantum dynamics data such as potential surfaces and transmission probabilities using tensor networks. We find that utilizing tensor networks yields an accurate and efficient description of time-dependent wavepackets, reduced dimensional nuclear eigenstates and associated potential energy surfaces at much reduced cost.« less
    Full Text Available 
  9. ; ( , Journal of Chemical Theory and Computation)
    Full Text Available 
  10. ; ; ; ; ( , 25th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining)
    Rooftop solar deployments are an excellent source for generating clean energy. As a result, their popularity among homeowners has grown significantly over the years. Unfortunately, estimating the solar potential of a roof requires homeowners to consult solar consultants, who manually evaluate the site. Recently there have been efforts to automatically estimate the solar potential for any roof within a city. However, current methods work only for places where LIDAR data is available, thereby limiting their reach to just a few places in the world. In this paper, we propose DeepRoof, a data-driven approach that uses widely available satellite images tomore »assess the solar potential of a roof. Using satellite images, DeepRoof determines the roof's geometry and leverages publicly available real-estate and solar irradiance data to provide a pixel-level estimate of the solar potential for each planar roof segment. Such estimates can be used to identify ideal locations on the roof for installing solar panels. Further, we evaluate our approach on an annotated roof dataset, validate the results with solar experts and compare it to a LIDAR-based approach. Our results show that DeepRoof can accurately extract the roof geometry such as the planar roof segments and their orientation, achieving a true positive rate of 91.1% in identifying roofs and a low mean orientation error of 9.3 degree. We also show that DeepRoof's median estimate of the available solar installation area is within 11% of a LIDAR-based approach.« less
    Full Text Available