N. A. Romero

发表

OPTIMIZATION AND PARALLELIZATION OF GAMESS ON DoD HIGH PERFORMANCE COMPUTING MACHINES

Jean-Philippe Blaudeau, Shawn T. Brown, M. E. Lasinski, 2008 .

Elemental: A New Framework for Distributed Memory Dense Matrix Computations

Robert A. van de Geijn, Jeff R. Hammond, Bryan Marker, 2013, TOMS.

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids

Ying Wai Li, N. S. Blunt, A. F. Tillack, 2018, Journal of physics. Condensed matter : an Institute of Physics journal.

Johnson Noise

N. A. Romero, .

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

N. A. Romero, J. Nørskov, K. Jacobsen, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions.

N. A. Romero, O. A. von Lilienfeld, Jeongnim Kim, 2014, Journal of chemical theory and computation.

Finite Size Effects in Chemical Bonding: From Small Clusters to Solids

V. A. Morozov, N. A. Romero, V. Morozov, 2011 .

Blue Gene/Q: Sequoia and Mira

Amith R. Mamidala, Philip Heidelberger, Michael E. Papka, 2017 .

Theta and Mira at Argonne National Laboratory

Kevin Harms, Hal Finkel, Wei Jiang, 2019, Contemporary High Performance Computing.

Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach.

N. A. Romero, L. Ratcliff, W. Thornton, 2018, The journal of physical chemistry. A.

Ab initio study of semiconducting carbon nanotubes adsorbed on the Si(100) surface: Diameter- and registration-dependent atomic configurations and electronic properties

N. A. Romero, K. Hess, S. Barraza‐Lopez, 2005, cond-mat/0510477.

Shift-Collapse Acceleration of Generalized Polarizable Reactive Molecular Dynamics for Machine Learning-Assisted Computational Synthesis of Layered Materials

Rajiv K. Kalia, Sungwook Hong, Priya Vashishta, 2018, 2018 IEEE/ACM 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (scalA).

Predicting C-H/pi interactions with nonlocal density functional theory.

N. A. Romero, D. Langreth, T. Thonhauser, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

MADNESS: A Multiresolution, Adaptive Numerical Environment for Scientific Simulation

Robert J. Harrison, Álvaro Vázquez-Mayagoitia, Rebecca Hartman-Baker, 2015, SIAM J. Sci. Comput..

Performance characterization of global address space applications: a case study with NWChem

Sriram Krishnamoorthy, Allen D. Malony, Sameer Shende, 2012, Concurr. Comput. Pract. Exp..

Design and performance characterization of electronic structure calculations on massively parallel supercomputers: a case study of GPAW on the Blue Gene/P architecture

N.A. Romero, C. Glinsvad, A.H. Larsen, 2015, Concurr. Comput. Pract. Exp..

Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis

Ying Li, William A. Goddard, Joseph A. Insley, 2019, Computing in Science & Engineering.

Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters.

Jens K Nørskov, Frank Abild-Pedersen, Karsten W Jacobsen, 2013, The journal of physical chemistry letters.

Electronic structures and superconductivity of endohedrally dopedC28solids from first principles

N. A. Romero, R. Martin, Jeongnim Kim, 2007 .

Electron-Phonon Interactions in C_28-derived Molecular Solids

N. A. Romero, R. Martin, Jeongnim Kim, 2004, cond-mat/0403003.

Optimization and Parallelization of DFT and TDDFT in GAMESS on DoD HPC Machines

M.E. Lasinski, N.A. Romero, A.D. Yau, 2008, 2008 DoD HPCMP Users Group Conference.

Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand

Paul Messina, Rajiv K. Kalia, Priya Vashishta, 2014, SC14: International Conference for High Performance Computing, Networking, Storage and Analysis.

Quantum Molecular Dynamics in the Post-Petaflops Era

Paul Messina, Rajiv K. Kalia, Priya Vashishta, 2015, Computer.

Density-functional calculation of the shock Hugoniot for diamond

William D. Mattson, Nichols A. Romero, N. A. Romero, 2007 .

Using Quantum Mechanics to Predict Shock Properties of Explosives

N. A. Romero, W. Mattson, B. Rice, 2006 .

Direct Quantum Mechanical Simulations of Shocked Energetic Materials Supporting Future Force Insensitive Munitions Requirements

N. A. Romero, W. Mattson, B. Rice, 2007, 2007 DoD High Performance Computing Modernization Program Users Group Conference.

GPAW - massively parallel electronic structure calculations with Python-based software

Sameer Shende, Jussi Enkovaara, Nichols A. Romero, 2011, ICCS.

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

N. A. Romero, J. Nørskov, K. Jacobsen, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Argonne applications for the IBM Blue Gene/Q, Mira

Susan Coghlan, Timothy J. Williams, Paul Messina, 2013, IBM J. Res. Dev..

Structure-Property of Lithium-Sulfur Nanoparticles via Molecular Dynamics Simulation.

N. A. Romero, K. Lau, Ying Li, 2018, ACS applied materials & interfaces.

Elemental: A New Framework for Distributed Memory Dense Matrix Computations

N. A. Romero, R. V. D. Geijn, J. Hammond, 2013, TOMS.