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在“Elsevier电子期刊”中，命中：12,659条，耗时：0.1259398 秒

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1.Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure

作者：Changjun Hu^a ; He Bai^a ; ^{baihe@xs.ustb.edu.cn} ; Xinfu He^b ; Boyao Zhang^c ; ^d ; Ningming Nie^c ; Xianmeng Wang^a ; Yingwen Ren^a

关键词：Irradiation environment ; Molecular dynamics ; Data structure ; High-performance computing

刊名：Computer Physics Communications

出版年：2017

2.A distributed and parallel control mechanism for self-reconfiguration of modular robots using L-systems and cellular automata

作者：Yanhe Zhu ^{yhzhu@hit.edu.cn}Author Vitae ; Dongyang Bie ^{dongyangbie@gmail.com}Author Vitae ; Xiaolu Wang ^{wxlu0517@gmail.com}Author Vitae ; Yu Zhang ^{zy_hitsz@163.com}Author Vitae ; Hongzhe Jin ; ^{hongzhejin@hit.edu.cn}Author Vitae ; Jie Zhao ^{jiezhao@hit.edu.cn}Author Vitae

关键词：Modular robots ; Distributed algorithm ; Parallel algorithm ; Self-reconfiguration ; Self-repair ; L-systems ; Cellular automata

刊名：Journal of Parallel and Distributed Computing

出版年：2017

3.A parallel algorithm for Bayesian network structure learning from large data sets

作者：Anders L. Madsen ; ^a ; ^b ; ^{alm@hugin.com} ; Frank Jensen^a ; ^fj@hugin.com ; Antonio Salmeró ; n^d ; ^{antonio.salmeron@ual.es} ; Helge Langseth^c ; ^{helgel@idi.ntnu.no} ; Thomas D. Nielsen^b ; ^{tdn@cs.aau.dk}

关键词：Bayesian network ; PC algorithm ; Parallelization

刊名：Knowledge-Based Systems

出版年：2017

4.SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Isolated clusters

作者：Swarnava Ghosh ; Phanish Suryanarayana ; ^{phanish.suryanarayana@ce.gatech.edu}

关键词：Electronic structure ; Real-space ; Finite-differences ; Electrostatics ; Atomic forces ; Parallel computing

刊名：Computer Physics Communications

出版年：2017

5.Synthesis of multiple degrees-of-freedom spatial-motion compliant parallel mechanisms with desired stiffness and dynamics characteristics

作者：Minh Tuan Pham^a ; ^b ; Tat Joo Teo^b ; ^c ; ^{tjteo@SIMTech.a-star.edu.sg" class="auth_mail" title="E-mail the corresponding author} ; Song Huat Yeo^d

关键词：Compliant parallel mechanism ; Structure optimization ; Beam-based flexure ; Spatial motions

刊名：Precision Engineering

出版年：2017

6.Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires

作者：Thomas Kjæ ; rgaard^a ; ^{tkjaergaard@chem.au.dk} ; Pablo Baudin^a ; Dmytro Bykov^a ; Janus Juul Eriksen^a ; Patrick Ettenhuber^a ; Kasper Kristensen^a ; Jeff Larkin^d ; Dmitry Liakh^b ; Filip Pawłowski^a ; Aaron Vose^c ; Yang Min Wang^a ; Poul Jø ; rgensen^a

关键词：Linear Scaling Quantum Chemistry ; Massively Parallel Quantum Chemistry Implementation ; Supramolecular wires ; Method development

刊名：Computer Physics Communications

出版年：2017

7.Using a novel parallel genetic hybrid algorithm to generate and determine new zeolite frameworks

作者：Omar Abdelkafi^a ; ^{omarabd.recherche@gmail.com} ; ^{omar.abdelkafi@uha.fr} ; Lhassane Idoumghar^a ; Julien Lepagnot^a ; Jean-Louis Paillaud^b ; Irena Deroche^c ; Laurent Baumes^d ; Pierre Collet^e

关键词：Genetic algorithm ; Zeolites ; Structure evaluation ; New topologies

刊名：Computers & Chemical Engineering

出版年：2017

8.RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN

作者：B.K. Mani^a ; S. Chattopadhyay^b ; D. Angom^b ; ^{angom@prl.res.in}

关键词：Coupled-cluster theory ; Dirac&ndash ; Coulomb Hamiltonian ; Correlation energy ; Closed-shell and one-valence systems ; Relativistic coupled-cluster theory ; Coupled-cluster singles and Doubles approximation

刊名：Computer Physics Communications

出版年：2017

9.The X-Ray Crystal Structure of the Keratin 1-Keratin 10 Helix 2B Heterodimer Reveals Molecular Surface Properties and Biochemical Insights into Human Skin Disease

作者：Christopher G. Bunick¹ ; ^{christopher.bunick@yale.edu} ; Leonard M. Milstone¹

关键词：K1 ; keratin 1 ; K10 ; keratin 10

刊名：Journal of Investigative Dermatology

出版年：2017

10.NMR based structural studies decipher stacking of the alkaloid coralyne to terminal guanines at two different sites in parallel G-quadruplex DNA, [d(TTGGGGT)]₄ and [d(TTAGGGT)]₄

作者：Kumar Padmapriya ; Ritu Barthwal ; ^{ritubfbs@iitr.ac.in}

关键词：Telomeric G-quadruplex DNA ; Alkaloid coralyne ; Circular dichroism ; Nuclear magnetic resonance ; Thermal stabilization ; Restrained molecular dynamics

刊名：Biochimica et Biophysica Acta (BBA) - General Subjects

出版年：2017

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