Results 151 to 160 of about 31,764 (209)

Development of Local Natural Orbital Arbitrary Order Coupled Cluster Methods and Assessment through Connected Quadruples. [PDF]

J Phys Chem A
Fishman V, Lőrincz BD, Semidalas E, Barman A, Martin JML, Nagy PR, Kállay M.   +6 more
europepmc   +1 more source

NApy: efficient statistics in Python for large-scale heterogeneous data with enhanced support for missing data. [PDF]

Gigascience
Woller F, Arend L, Fuchsberger C, List M, Blumenthal DB.   +4 more
europepmc   +1 more source

Enabling Ab Initio Molecular Dynamics under Bias: The CP2K+SMEAGOL Interface for Integrating Density Functional Theory and Non-Equilibrium Green Functions. [PDF]

J Chem Theory Comput
Ahart CS, Chulkov SK, Cucinotta CS.
europepmc   +1 more source

An era of hyper-resolution land surface models: truth or dare? [PDF]

Natl Sci Rev
Wu T, He Y, Yang X, Dai Y.
europepmc   +1 more source

Parallel Implementation of the Density Matrix Renormalization Group Method Achieving a Quarter petaFLOPS Performance on a Single DGX-H100 GPU Node. [PDF]

J Chem Theory Comput
Menczer A, van Damme M, Rask A, Huntington L, Hammond J, Xantheas SS, Ganahl M, Legeza Ö.   +7 more
europepmc   +1 more source

Unprecedented robustness of physics-informed atomic energy models at and beyond room temperature. [PDF]

Commun Chem
Isamura BK, Aten O, Nosratjoo M, Popelier PLA.   +3 more
europepmc   +1 more source

MonoAlg3D: Enabling Cardiac Electrophysiology Digital Twins with an Efficient Open Source Scalable Solver on GPU Clusters

Berg LA, Oliveira RS, Camps J, Wang ZJ, Doste R, Bueno-Orovio A, dos Santos RW, Rodriguez B.   +7 more
europepmc   +1 more source

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Is OpenMP for grids ?

Proceedings 16th International Parallel and Distributed Processing Symposium, 2002
This paper presents an overview of an ongoing NSF-sponsored project for the study of runtime systems and compilers to support the development of efficient OpenMP parallel programs for distributed memory systems. The first part of the paper discusses a prototype compiler, now under development, that will accept OpenMP and will target TreadMarks, a ...
Rudolf Eigenmann, Jay P. Hoeflinger, Robert H. Kuhn, David A. Padua, Ayon Basumallik, Seung-Jai Min, Jiajing Zhu   +6 more
openaire   +1 more source

Supporting OpenMP on Cell

International Journal of Parallel Programming, 2008
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Kevin O'Brien, Kathryn M. O'Brien, Zehra Sura, Tong Chen 0001, Tao Zhang   +4 more
openaire   +1 more source

OpenMP for Networks of SMPs

Journal of Parallel and Distributed Computing, 2000
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Y. Charlie Hu, Honghui Lu, Alan L. Cox, Willy Zwaenepoel   +3 more
openaire   +2 more sources