Metadata Search
Page 1 of 282 results
Sort by: relevance publication year Download as CSV

Adsorption Energy of tert-Butyl on Pt(111) by Dissociation of tert-Butyl Iodide: Calorimetry and DFT

Journal Article published 19 Dec 2013 in The Journal of Physical Chemistry C volume 118 issue 1 on pages 427 to 438

Research funded by National Science Foundation (CHE-1010287, CHE-1107522) | Advanced Scientific Computing Research (DE-AC02-05CH11231) | Natural Sciences and Engineering Research Council of Canada (N/A)

Authors: Trent L. Silbaugh, Javier B. Giorgi, Ye Xu, Aashani Tillekaratne, Francisco Zaera, Charles T. Campbell

Finite-Time Lyapunov Exponents and Lagrangian Coherent Structures in Uncertain Unsteady Flows

Journal Article published 1 Jun 2016 in IEEE Transactions on Visualization and Computer Graphics volume 22 issue 6 on pages 1672 to 1682

Research funded by U.S. Department of Energy | Office of Science (DE-AC02-06CH11357) | Advanced Scientific Computing Research | Advanced Computing (SciDAC) program | OBER | ARM Program

Authors: Hanqi Guo, Wenbin He, Tom Peterka, Han-Wei Shen, Scott M. Collis, Jonathan J. Helmus

Why is MPI so slow?

Conference Paper published 2017 in Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis on - SC '17

Research funded by Advanced Scientific Computing Research

Authors: Ken Raffenetti, Michael Blocksome, Min Si, Sangmin Seo, Akhil Langer, Gengbin Zheng, Masamichi Takagi, Paul Coffman, Jithin Jose, Sayantan Sur, Alexander Sannikov, Abdelhalim Amer, Sergey Oblomov, Michael Chuvelev, Masayuki Hatanaka, Xin Zhao, Paul Fischer, Thilina Rathnayake, Matt Otten, Misun Min, Pavan Balaji, Lena Oden, Charles Archer, Wesley Bland, Hajime Fujita, Yanfei Guo, Tomislav Janjusic, Dmitry Durnov

Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules

Journal Article published 2 Jun 2016 in Journal of Chemical Theory and Computation volume 12 issue 6 on pages 2583 to 2597

Research funded by Advanced Scientific Computing Research (FG02-12ER46875) | European Research Council (338580)

Authors: Katharina Doblhoff-Dier, Jörg Meyer, Philip E. Hoggan, Geert-Jan Kroes, Lucas K. Wagner

Kinetic Simulation of Collisional Magnetized Plasmas with Semi-implicit Time Integration

Journal Article published 12 May 2018 in Journal of Scientific Computing

Research funded by Advanced Scientific Computing Research

Authors: Debojyoti Ghosh, Mikhail A. Dorf, Milo R. Dorr, Jeffrey A. F. Hittinger

ASA-FTL: An adaptive separation aware flash translation layer for solid state drives

Journal Article published Jan 2017 in Parallel Computing volume 61 on pages 3 to 17

Research funded by Advanced Scientific Computing Research | National Science Foundation (CNS-1162488, CNS-1338078)

Authors: Wei Xie, Yong Chen, Philip C. Roth

Enabling fast, stable and accurate peridynamic computations using multi-time-step integration

Journal Article published Jul 2016 in Computer Methods in Applied Mechanics and Engineering volume 306 on pages 382 to 405

Research funded by Advanced Scientific Computing Research (DE-FC02-12ER26104, DE-FC02-12ER26104)

Authors: P. Lindsay, M.L. Parks, A. Prakash

Triangular Alignment (TAME): A Tensor-Based Approach for Higher-Order Network Alignment

Journal Article published 1 Nov 2017 in IEEE/ACM Transactions on Computational Biology and Bioinformatics volume 14 issue 6 on pages 1446 to 1458

Research funded by Center for Science of Information (CSoI) | US National Science Foundation Science and Technology Center (CCF-0939370) | National Science Foundation (BIO-1124962, CCF-1149756, IIS-1422918) | Defense Advanced Research Projects Agency | U.S. Department of Energy (DE–AC04–94AL85000) | Office of Science | Advanced Scientific Computing Research | Sandia National Laboratories is a multi-program laboratory managed and operated | Sandia Corporation

Authors: Shahin Mohammadi, David F. Gleich, Tamara G. Kolda, Ananth Grama

p53 binds human telomeric G-quadruplex in vitro

Journal Article published Sep 2016 in Biochimie volume 128-129 on pages 83 to 91

Research funded by Grantová Agentura České Republiky (13-36108S, 14-33947P) | Advanced Scientific Computing Research (RVO68081707)

Authors: Matej Adámik, Iva Kejnovská, Pavla Bažantová, Marek Petr, Daniel Renčiuk, Michaela Vorlíčková, Marie Brázdová

Error analysis of finite element method for Poisson–Nernst–Planck equations

Journal Article published Aug 2016 in Journal of Computational and Applied Mathematics volume 301 on pages 28 to 43

Research funded by University of Nevada, Las Vegas | National Science Foundation (DMS-1418806, DMS-1115887) | Advanced Scientific Computing Research

Authors: Yuzhou Sun, Pengtao Sun, Bin Zheng, Guang Lin

Single-view phase retrieval of an extended sample by exploiting edge detection and sparsity

Journal Article published 14 Oct 2016 in Optics Express volume 24 issue 21 on page 24719

Research funded by Advanced Scientific Computing Research (DE-AC02- 06CH11357)

Authors: Ashish Tripathi, Ian McNulty, Todd Munson, Stefan M. Wild

Water Structuring over the Hydrophobic Surface of Cellulose

Journal Article published 11 Nov 2014 in Journal of Agricultural and Food Chemistry volume 62 issue 46 on pages 11017 to 11023

Research funded by Advanced Scientific Computing Research | Biological and Environmental Research

Authors: Hitomi Miyamoto, Udo Schnupf, John W. Brady

A spectral mimetic least-squares method

Journal Article published Dec 2014 in Computers & Mathematics with Applications volume 68 issue 11 on pages 1480 to 1502

Research funded by Advanced Scientific Computing Research

Authors: Pavel Bochev, Marc Gerritsma

First-principles study of two-dimensional van der Waals heterojunctions

Journal Article published Feb 2016 in Computational Materials Science volume 112 on pages 518 to 526

Research funded by Basic Research Program of Jiangsu Education Department (2011CB921404) | National Natural Science Foundation of China (11404109, 21121003, 91021004, 21233007, 21222304) | Chinese Academy of Sciences (XDB01020300) | Advanced Scientific Computing Research | Basic Energy Sciences

Authors: Wei Hu, Jinlong Yang

Many-Body Topological Invariants for Fermionic Symmetry-Protected Topological Phases

Journal Article published 25 May 2017 in Physical Review Letters volume 118 issue 21

Research funded by National Science Foundation (DMR-1455296) | U.S. Department of Energy (FG02-12ER46875) | Office of Science | Advanced Scientific Computing Research | Japan Society for the Promotion of Science

Authors: Hassan Shapourian, Ken Shiozaki, Shinsei Ryu

Parameter estimation and prediction for groundwater contamination based on measure theory

Journal Article published Sep 2015 in Water Resources Research volume 51 issue 9 on pages 7608 to 7629

Research funded by U.S. Department of Energy Office of Science | Advanced Scientific Computing Research (DE-SC0009286, DE-SC0009279) | National Science Foundation (ACI-1053575, DMS-1228206)

Authors: S. A. Mattis, T. D. Butler, C. N. Dawson, D. Estep, V. V. Vesselinov

Application of the generalized multiscale finite element method in parameter-dependent PDE simulations with a variable-separation technique

Journal Article published Jul 2016 in Journal of Computational and Applied Mathematics volume 300 on pages 183 to 191

Research funded by U.S. Department of Energy | Office of Science | Advanced Scientific Computing Research | Chinese University of Hong Kong

Authors: Longfei Gao, Xiaosi Tan, Eric T. Chung

Comparison of the simulations of cellulosic crystals with three carbohydrate force fields

Journal Article published Mar 2016 in Carbohydrate Research volume 422 on pages 17 to 23

Research funded by Biological and Environmental Research | Advanced Scientific Computing Research | Japan Society for the Promotion of Science

Authors: Hitomi Miyamoto, Udo Schnupf, Michael F. Crowley, John W. Brady

Time-Domain Simulations of Transient Species in Experimentally Relevant Environments

Journal Article published 21 Jan 2016 in The Journal of Physical Chemistry A volume 120 issue 4 on pages 556 to 561

Research funded by Division of Chemistry | Advanced Scientific Computing Research | Basic Energy Sciences | Laboratory Directed Research and Development | Office of Science

Authors: Tyler W. Ueltschi, Sean A. Fischer, Edoardo Aprà, Alexander N. Tarnovsky, Niranjan Govind, Patrick Z. El-Khoury, Wayne P. Hess

Efficient uncertainty propagation for network multiphysics systems

Journal Article published 30 Apr 2014 in International Journal for Numerical Methods in Engineering volume 99 issue 3 on pages 183 to 202

Research funded by Advanced Scientific Computing Research

Authors: P.G. Constantine, E.T. Phipps, T.M. Wildey