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Density Functional Theory (DFT)

Page • This page is intended to provide information useful for people using and/or developing density-functional theory based tools for electronic structure calculations. The main focus will be on usage and development of DFT methods within Sandia. If you do not find what you wanted and think we should know about it...

Departments

Page • Cognitive & Emerging Computing Computational Mathematics Computational Multiphysics Computational Multiscale Computational Science Computational Sciences & Math Discrete Math & Optimization Enhanced Decision Making Extreme-scale Computing Machine Intelligence and Vis Optimization & Uncertainty Quantification Quantum Computer Science Scalable Algorithms Scalable Computer Architecture Scalable System Software Scientific Machine Learning Software Engineering &...

DGM

Software • DGM provides a software framework for forward modeling and optimization of partial differential equations using the discontinuous Galerkin method (DGM). Examples are provided for solution to generic Navier-Stokes (with and without subgrid-scale turbulence models), Euler, Burgers, Poisson, Helmholtz, Darcy, linear transport, and Advection Diffusion equations. DGM supports a discontinuous Galerkin...

Digital Image Correlation Engine (DICe)

Software • DICe (pronounced /dis/ as in "roll the dice") is an open source digital image correlation (DIC) tool intended for use as a module in an external application or as a standalone analysis code. Its primary capabilities are computing full-field displacements and strains from sequences of digital images and rigid body...

Discrete Math & Optimization

Department • The Discrete Math & Optimization Department conducts research and development in mathematics and computing in support of Sandia missions. Principle areas of focus include graph algorithms, parallel computing, combinatorial optimization, integer programming and quantum algorithms. Our team delivers creative enabling technologies and software tools. The department works on a wide...

Discrete Optimization

Focus Area • We develop advanced algorithms and modeling tools for a variety of optimization research areas, including engineering design, parameter estimation, inverse modeling, logistics and planning, and design of complex systems. Our research considers a wide range of optimization problems, including integer and linear programming, disjunctive programming, stochastic programming, surrogate-based optimization and...

DOE award to develop new quantum algorithms for simulation, optimization, and machine learning

News Article, January 1, 2018 • The Department of Energy's Office of Science recently awarded $4.5M over three years to a multi-institutional and multi-disciplinary team led by Dr. Ojas Parekh (1464) to explore the abilities of quantum computers in three interrelated areas: quantum simulation, optimization, and machine learning, each highly relevant to the DOE mission. The...

The QOALAS (pronounced as “Koalas”) project mascot is a marsupial who knows his theoretical physics and Feynmann diagrams!

DOE Early Career Award Panel

Award, January 28, 2011 • Review board, Department of Energy. ASCR

DOE-Micron Hybrid Memory Cube Research, Development, and Analysis

News Article, August 1, 2014 • On July 17, 2014 representatives from Sandia, LBNL, PNNL, and DoD's LPS/ACS organizations met with Micron to discuss the Multi-FPGA application development environment, and the status of memory controller updates for the Micron hybrid memory cube (HMC) test and evaluation (T&E) boards. Initial Micron testing demonstrated approximately an order of...

Photo of HMC Gen2 Test and Evaluation Board

Dr. J. Brad Aimone selected to participate in the National Academy of Engineering’s 2017 US Frontiers of Engineering Symposium

News Article, July 1, 2017 • Dr. J. Brad Aimone has been selected to participate in National Academy of Engineering’s (NAE) 23rd annual U.S. Frontiers of Engineering (USFOE) symposium. The 83 participants are among the nation’s most innovative young engineers who are performing exceptional engineering research and technical work in a variety of disciplines that will...

Drew Philip Kouri

Staff Page • Optimization & Uncertainty Quantification. Biography Drew's research interests include: PDE-constrained optimization, algorithms for solving risk-averse and robust PDE-constrained optimization problems, adaptive sampling and quadrature methods for risk-averse optimization, general frameworks to handle inexactness and model adaptivity in optimization. Drew is also a lead developer of the Rapid Optimization Library (ROL)...

Dynamic

Software • Dynamic is a simple software tool, written in Python 3, for simulating networks of continuous dynamic variables linked by interaction Hamiltonians. It was used to generate the results shown in the "Chaotic Logic" presentation at the ICRC 2016 conference; the concept for that work was described in the associated paper.

E.O. Lawrence Award

Award, June 1, 2015 • Award, DOE. For pioneering theoretical and practical advances in numerical methods for partial differential equations (PDEs), which includes the invention of new algorithms, the rigorous mathematical analysis of algorithms and...

E3SM

Software • E3SM is an Earth System Model being developed by the DOE Energy Exascale Earth System Model (E3SM) project. E3SM Version 1 was released in 2018. E3SM Version 2 was released in 2021. The E3SM atmosphere model runs with the spectral element dynamical core from HOMME, upgraded to include new aerosol and cloud...

E3SM – Energy Exascale Earth System Model

Project • E3SM is an unprecedented collaboration among seven National Laboratories, the National Center for Atmospheric Research, four academic institutions and one private-sector company to develop and apply the most complete leading-edge climate and Earth system models to the most challenging and demanding climate change research imperatives. It is the only major national modeling project...

Early Career Principal Investigator Panel

Award, March 29, 2006 – March 30, 2006 • Review board, Department of Energy.

ECP Supercontainers

Project • Container computing has revolutionized how many industries and enterprises develop and deploy software and services. Recently, this model has gained traction in the High Performance Computing (HPC) community through enabling technologies including Charliecloud, Shifter, Singularity, and Docker. In this same trend, container-based computing paradigms have gained significant interest within the...

ECP/HT PathForward RFP

News Article, September 1, 2016 • On June 16, 2016 the DOE Exascale Computing Project issued a RFP for Vendor node and system design R&D projects. Proposals were received on July 18, 2016. The PathForward RFP seeks hardware node and system design solutions that will improve application performance and developer productivity while maximizing energy efficiency and...