NOTICE: Due to a lapse in annual appropriations, most of this website is not being updated. Learn more.

Form submissions will still be accepted but will not receive responses at this time. Sections of this site for programs using non-appropriated funds (such as NVLAP) or those that are excepted from the shutdown (such as CHIPS and NVD) will continue to be updated.

U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Information Technology

Computational science

Search Publications

Search Title, Abstract, Conference, Citation, Keyword or Author
  • Published Date
Displaying 1 - 25 of 153

Resilience-Runtime Tradeoff Relations for Quantum Algorithms

February 3, 2025
Author(s)
Luis Pedro Garcia-Pintos, Tom O'Leary, Tanmoy Biswas, Jacob Bringewatt, Lukasz Cincio, Lucas Brady, Yi-Kai Liu
A leading approach to algorithm design aims to minimize the number of operations in an algorithm's compilation. One intuitively expects that reducing the number of operations may decrease the chance of errors. This paradigm is particularly prevalent in

Polynomial-Time Classical Simulation of Noisy IQP Circuits after Constant Depth

January 12, 2025
Author(s)
Joel Rajakumar, James Watson, Yi-Kai Liu
Sampling from the output distributions of quantum computations comprising only commuting gates, known as instantaneous quantum polynomial (IQP) computations, is believed to be intractable for classical computers, and hence this task has become a leading

Phase Transitions in Random Circuit Sampling

October 9, 2024
Author(s)
Sergio Boixo, Rene Peralta
Undesired coupling to the surrounding environment destroys long-range correlations on quantum processors and hinders the coherent evolution in the nominally available computational space. This noise is an outstanding challenge to leverage the computation

Mathematical Entities: Corpora and Benchmarks

May 20, 2024
Author(s)
Jacob Collard, Valeria de Paiva, Eswaran Subrahmanian
Mathematics is a highly specialized domain with its own unique set of challenges. Despite this, there has been relatively little research on natural language processing for mathematical texts, and there are few mathematical language resources aimed at NLP

Post-Quantum Cryptography, and the Quantum Future of Cybersecurity

April 9, 2024
Author(s)
Yi-Kai Liu, Dustin Moody
We review the current status of efforts to develop and deploy post-quantum cryptography on the Internet. Then we suggest specific ways in which quantum technologies might be used to enhance cybersecurity in the near future and beyond. We focus on two goals

MPpredictor: An Artificial Intelligence-Driven Web Tool for Composition-Based Material Property Prediction

March 27, 2023
Author(s)
Kamal Choudhary, Francesca Tavazza, Carelyn E. Campbell, Vishu Gupta, Yuwei Mao, Kewei Wang, Wei-keng Liao, Alok Choudhary, Ankit Agrawal
The applications of artificial intelligence, machine learning, and deep learning techniques in the field of materials science are becoming increasingly common due to their promising abilities to extract and utilize data-driven information from available

Encouraging and Enabling Mutual Ownership in a RSE Community of Practice

November 21, 2022
Author(s)
Miranda Mundt, Jonathan Bisila, Jonathan E. Guyer, Daniel Howard, Daniel S. Katz, Reed Milewicz, Henry Schreiner, Joshua Teves, Chris Wiswell
The explosion of Research Software Engineers (RSEs) in the United States created the opportunity to form communities of practice (CoP), groups which share a passion for an activity and learn how to do it better as they interact regularly, specifically to

Efficient Parameter Exploration of Simulation Studies

November 18, 2022
Author(s)
Megan Olsen, M S Raunak
Simulation is a useful and effective way to analyze and study complex, real-world systems. It allows researchers, practitioners, and decision makers to make sense of the inner working of a system that involves many factors often resulting in some sort of

Characterization of AI Model Configurations For Model Reuse

October 24, 2022
Author(s)
Peter Bajcsy, Daniel Gao, Michael Paul Majurski, Thomas Cleveland, Manuel Carrasco, Michael Buschmann, Walid Keyrouz
With the widespread creation of artificial intelligence (AI) models in biosciences, bio-medical researchers are reusing trained AI models from other applications. This work is motivated by the need to characterize trained AI models for reuse based on

Extracting Mathematical Concepts from Text

October 12, 2022
Author(s)
Jacob Collard, Valeria de Paiva, Brendan Fong, Eswaran Subrahmanian
We investigate some different systems for extracting mathematical entities from texts in the mathematical field of category theory, as a first step for constructing a mathematical knowledge graph. We consider four different term extractors and compare

Glycosylation and the global virome

October 10, 2022
Author(s)
Cassandra Pegg, Benjamin Schulz, Ben Neely, Gregory Albery, Colin Carlson
The sugars that coat the outsides of viruses and host cells are key to successful disease transmission, but they remain understudied compared to other molecular features. Understanding the comparative zoology of glycosylation - and harnessing it for

Why big data and compute are not necessarily the path to big materials science

August 30, 2022
Author(s)
Naohiro Fujinuma, Brian DeCost, Jason Hattrick-Simpers, Sam Lofland
Applied machine learning has rapidly spread throughout the physical sciences. In fact, machine learning-based data analysis and experimental decision-making have become commonplace. Here, we reflect on the ongoing shift in the conversation from proving

Digital Control of Superconducting Qubit Using a Josephson Pulse Generator at 3K

March 25, 2022
Author(s)
Logan Howe, Manuel Castellanos Beltran, Adam Sirois, David Olaya, John Biesecker, Paul Dresselhaus, Samuel P. Benz, Pete Hopkins
Scaling of quantum computers to fault-tolerant levels relies critically on the integration of energy-efficient, stable, and reproducible qubit control and readout electronics. In comparison to traditional semiconductor-control electronics (TSCE) located at

Towards community-driven metadata standards for light microscopy: tiered guidelines extending the OME model

December 1, 2021
Author(s)
Peter Bajcsy, Mathias Hammer, Maximiliaan Huisman, Alex Rigano, Ulrike Boehm, James J. Chambers, Nathalie Gaudreault, Jaime A. Pimentel, Damir Sudar, Claire M. Brown, Alexander D. Corbett, Orestis Faklaris, Judith Lacoste, Alex Laude, Glyn Nelson, Roland Nitschke, Alison J. North, Renu Gopinathan, Farzin Farzam, Carlas Smith, David Grunwald, Caterina Strambio-De-Castillia
While the power of modern microscopy techniques is undeniable, rigorous record-keeping and quality control are required to ensure that imaging data may be properly interpreted (quality), reproduced (reproducibility), and used to extract reliable

Calculating Voxel-Polyhedron Intersections for Meshing Images

October 9, 2021
Author(s)
Stephen A. Langer, Andrew Reid
Finite element meshes constructed from 3D images are useful in materials science and medical applications when it is necessary to model the actual geometry of a sample, rather than an idealized approximation of it. Constructing the mesh involves computing

Reservoir computing leveraging the transient non-linear dynamics of spin-torque nano-oscillators

August 6, 2021
Author(s)
Mathieu Riou, Jacob Torrejon, Flavio Abreu Araujo, Sumito Tsunegi, Guru Khalsa, Damien Querlioz, Paolo Bortolotti, Nathan Leroux, Danijela Markovic, Vincent Cros, K. Yakushiji, Akio Fukushima, Hitoshi Kubota, Shinji Yuasa, Mark D. Stiles, Julie Grollier
Present artificial intelligence algorithms require extensive computations to emulate the behavior of large neural networks, operating current computers near their limits, which leads to high energy costs. A possible solution to this problem is the

Quantifying Variability in Microscopy Image Analyses for COVID-19 Drug Discovery

June 25, 2021
Author(s)
Peter Bajcsy, Mylene Simon, Sunny Yu, Nick Schaub, Jayapriya Nagarajan, Sudharsan Prativadi, Mohamed Ouladi, Nathan Hotaling
Microscopy image-based measurement variability in high-throughput imaging experiments for biological drug discoveries, such as COVID-19 therapies was addressed in this study. Variability of measurements came from (1) computational approaches (methods), (2)
Was this page helpful?