UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

The PubChemQC project: A large chemical database from the first principle calculations

AIP Conference Proceedings, 2015, Vol.1702 (1)

Nakata, Maho

2015

Volltextzugriff (PDF)

PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry

Journal of chemical information and modeling, 2017-06, Vol.57 (6), p.1300-1308

2017

Volltextzugriff (PDF)

pzqd: PEZY-SC2 Acceleration of Double-Double Precision Arithmetic Library for High-Precision BLAS

Computational and Experimental Simulations in Engineering, 2020, p.717-736

2020

Volltextzugriff (PDF)

PubChemQC B3LYP/6-31G//PM6 Data Set: The Electronic Structures of 86 Million Molecules Using B3LYP/6-31G Calculations

Journal of chemical information and modeling, 2023-09, Vol.63 (18), p.5734-5754

2023

Volltextzugriff (PDF)

Strange behaviors of interior-point methods for solving semidefinite programming problems in polynomial optimization

Computational optimization and applications, 2012-12, Vol.53 (3), p.823-844

2012

Volltextzugriff (PDF)

Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm

The Journal of chemical physics, 2001-05, Vol.114 (19), p.8282-8292

2001

Volltextzugriff (PDF)

Variational calculation of second-order reduced density matrices by strong N-representability conditions and an accurate semidefinite programming solver

The Journal of chemical physics, 2008-04, Vol.128 (16), p.164113-164113

2008

Volltextzugriff (PDF)

All about RIKEN Integrated Cluster of Clusters (RICC)

International Journal of Networking and Computing, 2012, Vol.2(2), pp.206-215

Nakata, Maho

2012

Volltextzugriff (PDF)

Relativistic quantum Monte Carlo method using zeroth-order regular approximation Hamiltonian

The Journal of chemical physics, 2010-02, Vol.132 (5), p.054102-054102-7

2010

Volltextzugriff (PDF)

PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.5891-5899

2020

Volltextzugriff (PDF)

The second-order reduced density matrix method and the two-dimensional Hubbard model

Computational and theoretical chemistry, 2013-01, Vol.1003, p.22-27

2013

Volltextzugriff (PDF)

Large-scale semidefinite programs in electronic structure calculation

Mathematical programming, 2007-03, Vol.109 (2-3), p.553-580

2007

Volltextzugriff (PDF)

On the size-consistency of the reduced-density-matrix method and the unitary invariant diagonal N-representability conditions

AIP advances, 2012-09, Vol.2 (3), p.032125-032125-15

2012

Volltextzugriff (PDF)

4',6-Dimethoxyisoflavone-7-O-[beta]-d-glucopyranoside agonist in mouse hepatocytes

Molecular and cellular biochemistry, 2018-09, Vol.446 (1-2), p.35

2018

Volltextzugriff (PDF)

4′,6-Dimethoxyisoflavone-7-O-β-d-glucopyranoside (wistin) is a peroxisome proliferator-activated receptor α (PPARα) agonist in mouse hepatocytes

Molecular and cellular biochemistry, 2018-09, Vol.446 (1-2), p.35-41

2018

Volltextzugriff (PDF)

A numerical evaluation of highly accurate multiple-precision arithmetic version of semidefinite programming solver: SDPA-GMP, -QD and -DD

2010 IEEE International Symposium on Computer-Aided Control System Design, 2010, p.29-34

Nakata, M

2010

Volltextzugriff (PDF)

Size extensivity of the variational reduced-density-matrix method

Physical review. A, Atomic, molecular, and optical physics, 2009-10, Vol.80 (4), Article 042109

2009

Volltextzugriff (PDF)

Algorithm 925: Parallel Solver for Semidefinite Programming Problem having Sparse Schur Complement Matrix

ACM transactions on mathematical software, 2012-11, Vol.39 (1), p.1-22

2012

Volltextzugriff (PDF)

Algorithm 925: Parallel Solver for Semidefinite Programming Problem having Sparse Schur Complement Matrix

ACM transactions on mathematical software, 2013, Vol.39 (1)

2013

Volltextzugriff (PDF)

Density matrix variational theory: Application to the potential energy surfaces and strongly correlated systems

The Journal of chemical physics, 2002-04, Vol.116 (13), p.5432-5439

2002

Volltextzugriff (PDF)

Large-scale semidefinite programs in electronic structure calculation

Mathematical programming, 2007-03, Vol.109 (2-3), p.553

2007

Volltextzugriff (PDF)

Accelerating 128-bit Floating-Point Matrix Multiplication on FPGAs

2023 IEEE 31st Annual International Symposium on Field-Programmable Custom Computing Machines (FCCM), 2023, p.204-204

2023

Volltextzugriff (PDF)

Latest Developments in the SDPA Family for Solving Large-Scale SDPs

Handbook on Semidefinite, Conic and Polynomial Optimization, 2012, p.687-713

2012

Volltextzugriff (PDF)

Evaluation of POSIT Arithmetic with Accelerators

Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2024, p.62-72

2024

Volltextzugriff (PDF)

Basics and Practice of Linear Algebra Calculation Library BLAS and LAPACK

The Art of High Performance Computing for Computational Science, Vol. 1, 2019, p.83-112

2019

Volltextzugriff (PDF)

1 – 25 von 62

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(42)
Mit Volltextzugriff
(58)

Publikationsform

Sprache

Englisch
(51)
Japanisch
(11)

Erscheinungsjahr

n.n

Thema

Science & Technology
(37)
Physical Sciences
(17)
Life Sciences & Biomedicine
(15)
Chemistry
(12)
Technology
(11)
Physics
(10)
Humans
(9)
Chemistry, Physical
(8)
Computer Science
(8)
Physics, Atomic, Molecular & Chemical
(8)
Female
(7)
Male
(6)
Genetic Predisposition To Disease
(5)
Mathematical Programming
(5)
Polymorphism, Single Nucleotide
(5)
Semidefinite Programming
(5)
Genotype
(4)
Japan - Epidemiology
(4)
Mathematical Analysis
(4)
Mathematics
(4)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

The PubChemQC project: A large chemical database from the first principle calculations

PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry

pzqd: PEZY-SC2 Acceleration of Double-Double Precision Arithmetic Library for High-Precision BLAS

PubChemQC B3LYP/6-31G//PM6 Data Set: The Electronic Structures of 86 Million Molecules Using B3LYP/6-31G Calculations

Strange behaviors of interior-point methods for solving semidefinite programming problems in polynomial optimization

Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm

Variational calculation of second-order reduced density matrices by strong N-representability conditions and an accurate semidefinite programming solver

All about RIKEN Integrated Cluster of Clusters (RICC)

Relativistic quantum Monte Carlo method using zeroth-order regular approximation Hamiltonian

PubChemQC PM6: Data Sets of 221 Million Molecules with Optimized Molecular Geometries and Electronic Properties

The second-order reduced density matrix method and the two-dimensional Hubbard model

Large-scale semidefinite programs in electronic structure calculation

On the size-consistency of the reduced-density-matrix method and the unitary invariant diagonal N-representability conditions

4',6-Dimethoxyisoflavone-7-O-[beta]-d-glucopyranoside agonist in mouse hepatocytes

4′,6-Dimethoxyisoflavone-7-O-β-d-glucopyranoside (wistin) is a peroxisome proliferator-activated receptor α (PPARα) agonist in mouse hepatocytes

A numerical evaluation of highly accurate multiple-precision arithmetic version of semidefinite programming solver: SDPA-GMP, -QD and -DD

Size extensivity of the variational reduced-density-matrix method

Algorithm 925: Parallel Solver for Semidefinite Programming Problem having Sparse Schur Complement Matrix

Algorithm 925: Parallel Solver for Semidefinite Programming Problem having Sparse Schur Complement Matrix

Density matrix variational theory: Application to the potential energy surfaces and strongly correlated systems

Large-scale semidefinite programs in electronic structure calculation

Accelerating 128-bit Floating-Point Matrix Multiplication on FPGAs

Latest Developments in the SDPA Family for Solving Large-Scale SDPs

Evaluation of POSIT Arithmetic with Accelerators

Basics and Practice of Linear Algebra Calculation Library BLAS and LAPACK

Suchergebnisse filtern