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GrowBag graphs for keyword ? (Num. hits/coverage)
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Found 37 publication records. Showing 37 according to the selection in the facets
Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
107 | Eugene S. Kadantsev, M. J. Stott |
Parallel Implementation of Density Functional Theory within the Real Space Pseudopotential Approach. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HPCS ![In: 19th Annual International Symposium on High Performance Computing Systems and Applications (HPCS 2005), 15-18 May 2005, Guelph, Ontario, Canada, pp. 295-300, 2005, IEEE Computer Society, 0-7695-2343-9. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
|
54 | Wibke Sudholt, Kim K. Baldridge, David Abramson 0001, Colin Enticott, Slavisa Garic |
Applying Grid Computing to the Parameter Sweep of a Group Difference Pseudopotential. ![Search on Bibsonomy](Pics/bibsonomy.png) |
International Conference on Computational Science ![In: Computational Science - ICCS 2004, 4th International Conference, Kraków, Poland, June 6-9, 2004, Proceedings, Part I, pp. 148-155, 2004, Springer, 3-540-22114-X. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
36 | Chao Yang 0001, Juan C. Meza, Byounghak Lee, Lin-Wang Wang |
KSSOLV - a MATLAB toolbox for solving the Kohn-Sham equations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ACM Trans. Math. Softw. ![In: ACM Trans. Math. Softw. 36(2), pp. 10:1-10:35, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
Kohn-Sham equations, Planewave discretization, direct constrained minimization (DCM), electronic structure calculation, nonlinear eigenvalue problem, pseudopotential, self-consistent field iteration (SCF), density functional theory (DFT) |
28 | Alexander V. Oleynichenko, Andréi Zaitsevskii, Nikolai S. Mosyagin, Alexander N. Petrov, Ephraim Eliav, Anatoly V. Titov |
LIBGRPP: A Library for the Evaluation of Molecular Integrals of the Generalized Relativistic Pseudopotential Operator over Gaussian Functions. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Symmetry ![In: Symmetry 15(1), pp. 197, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
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28 | Alfredo Jaramillo, Vinícius Pessoa Mapelli, Luben Cabezas-Gómez |
Pseudopotential Lattice Boltzmann Method for boiling heat transfer: a mesh refinement procedure. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2201.04560, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP BibTeX RDF |
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28 | Ethan Payne, Amanda S. Fernandez |
Defining Point Cloud Boundaries Using Pseudopotential Scalar Field Implicit Surfaces. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICIP ![In: 2022 IEEE International Conference on Image Processing, ICIP 2022, Bordeaux, France, 16-19 October 2022., pp. 2806-2810, 2022, IEEE, 978-1-6654-9621-6. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
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28 | Xiang An, Bo Dong, Weizhong Li, Xun Zhou, Tao Sun |
Simulation of binary droplet collision with different angles based on a pseudopotential multiple-relaxation-time lattice Boltzmann model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Math. Appl. ![In: Comput. Math. Appl. 92, pp. 76-87, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
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28 | Yong Zhao, Gerald G. Pereira, Shibo Kuang, Baochang Shi |
On a modified pseudopotential lattice Boltzmann model for multicomponent flows. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Appl. Math. Lett. ![In: Appl. Math. Lett. 114, pp. 106926, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
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28 | Matheus dos Santos Guzella, Luiz Eduardo Czelusniak, Vinícius Pessoa Mapelli, Pablo Fariñas Alvariño, Gherhardt Ribatski, Luben Cabezas-Gómez |
Simulation of Boiling Heat Transfer at Different Reduced Temperatures with an Improved Pseudopotential Lattice Boltzmann Method. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Symmetry ![In: Symmetry 12(8), pp. 1358, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
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28 | G. L. Alfimov, L. A. Gegel, M. E. Lebedev, Boris A. Malomed, Dmitry A. Zezyulin |
Localized modes in the Gross-Pitaevskii equation with a parabolic trapping potential and a nonlinear lattice pseudopotential. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Commun. Nonlinear Sci. Numer. Simul. ![In: Commun. Nonlinear Sci. Numer. Simul. 66, pp. 194-207, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
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28 | Alberto García, Matthieu J. Verstraete, Yann Pouillon, Javier Junquera |
The psml format and library for norm-conserving pseudopotential data curation and interoperability. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 227, pp. 51-71, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
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28 | Michiel J. van Setten, Matteo Giantomassi, Eric Bousquet, Matthieu J. Verstraete, Don R. Hamann, Xavier Gonze, Gian-Marco Rignanese |
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 226, pp. 39-54, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
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28 | Yongyong Wu, Nan Gui, Xingtuan Yang, Jiyuan Tu, Shengyao Jiang |
Fourth-order analysis of force terms in multiphase pseudopotential lattice Boltzmann model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Math. Appl. ![In: Comput. Math. Appl. 76(7), pp. 1699-1712, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
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28 | Rongzong Huang, Huiying Wu |
Third-order analysis of pseudopotential lattice Boltzmann model for multiphase flow. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Phys. ![In: J. Comput. Phys. 327, pp. 121-139, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
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28 | Soyoun Son, Li Chen, Qinjun Kang, Dominique Derome, Jan Carmeliet |
Contact Angle Effects on Pore and Corner Arc Menisci in Polygonal Capillary Tubes Studied with the Pseudopotential Multiphase Lattice Boltzmann Model. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. ![In: Comput. 4(1), pp. 12, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
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28 | Knut Küllmer, Andreas Krämer, Dirk Reith, Wolfgang Joppich, Holger Foysi |
Numerical optimisation of the pseudopotential-based lattice Boltzmann method. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Sci. ![In: J. Comput. Sci. 17, pp. 384-393, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
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28 | Jean Michel D. Sellier, Rosangela F. Sviercoski, Ivan Dimov 0001 |
On the Wigner Monte Carlo method coupled to pseudopotential models. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Appl. Math. ![In: J. Comput. Appl. Math. 293, pp. 217-222, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
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28 | Trisha Salagaram, Richard Charles Andrew, Nithaya Chetty |
Simplified Pseudopotential Problems for the Classroom. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Sci. Eng. ![In: Comput. Sci. Eng. 17(1), pp. 46-53, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
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28 | José A. Morales Escalante, Irene M. Gamba, Yingda Cheng, Armando Majorana, Chi-Wang Shu, James R. Chelikowsky |
Discontinuous Galerkin Deterministic Solvers for a Boltzmann-Poisson Model of Hot Electron Transport by Averaged Empirical Pseudopotential Band Structures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1512.05403, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP BibTeX RDF |
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28 | Weile Jia, Zongyan Cao, Long Wang 0008, Jiyun Fu, Xuebin Chi, Weiguo Gao, Lin-Wang Wang |
The analysis of a plane wave pseudopotential density functional theory code on a GPU machine. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 184(1), pp. 9-18, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
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28 | Justin E. Elenewski, John C. Hackett |
Cytochrome P450 compound I in the plane wave pseudopotential framework: GGA electronic and geometric structure of thiolate-ligated iron(IV)-oxo porphyrin. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 34(19), pp. 1647-1660, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
28 | Hemant Dixit, Rolando Saniz, Dirk Lamoen, Bart Partoens |
Accurate pseudopotential description of the GW bandstructure of ZnO. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 182(9), pp. 2029-2031, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
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28 | Eric J. Bylaska, Kiril Tsemekhman, Scott B. Baden, John H. Weare, Hannes Jónsson |
Parallel implementation of gamma-point pseudopotential plane-wave DFT with exact exchange. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 32(1), pp. 54-69, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
28 | Long Wang 0008, Yue Wu, Weile Jia, Weiguo Gao, Xuebin Chi, Lin-Wang Wang |
Large scale plane wave pseudopotential density functional theory calculations on GPU clusters. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SC ![In: Conference on High Performance Computing Networking, Storage and Analysis, SC 2011, Seattle, WA, USA, November 12-18, 2011, pp. 71:1-71:10, 2011, ACM, 978-1-4503-0771-0. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
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28 | Roberto Flores-Moreno, Rodrigo J. Alvarez-Mendez, Alberto Vela, Andreas M. Köster |
Half-numerical evaluation of pseudopotential integrals. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 27(9), pp. 1009-1019, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
28 | Christoph Van Wüllen |
Numerical instabilities in the computation of pseudopotential matrix elements. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 27(2), pp. 135-141, 2006. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
|
28 | Wibke Sudholt, Kim K. Baldridge, David Abramson 0001, Colin Enticott, Slavisa Garic |
Parameter Scan of an Effective Group Difference Pseudopotential Using Grid Computing. ![Search on Bibsonomy](Pics/bibsonomy.png) |
New Gener. Comput. ![In: New Gener. Comput. 22(2), pp. 137-146, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
|
28 | M. R. Kitchin |
An empirical pseudopotential-based description of carrier scattering by LO phonons in semiconductor heterostructures. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Microelectron. J. ![In: Microelectron. J. 35(5), pp. 461-470, 2004. The full citation details ...](Pics/full.jpeg) |
2004 |
DBLP DOI BibTeX RDF |
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28 | Christopher C. Lovallo, Mariusz Klobukowski |
Development of new pseudopotential methods: Improved model core potentials for the first-row transition metals. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 24(9), pp. 1009-1015, 2003. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
|
28 | E. Valderrama, Richard J. Wheatley |
An environmental pseudopotential approach to molecular interactions: Implementation in MOLPRO. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 24(16), pp. 2075-2082, 2003. The full citation details ...](Pics/full.jpeg) |
2003 |
DBLP DOI BibTeX RDF |
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28 | Michael Dolg |
Combined Pseudopotential and Density Functional Study of Bis-6-benzene d and f Element Complexes. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Comput. Sci. ![In: J. Chem. Inf. Comput. Sci. 41(1), pp. 18-21, 2001. The full citation details ...](Pics/full.jpeg) |
2001 |
DBLP DOI BibTeX RDF |
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28 | J. Dabrowski, V. Zavodinsky, A. Fleszar |
Pseudopotential study of PrO2 and HfO2 in fluorite phase. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Microelectron. Reliab. ![In: Microelectron. Reliab. 41(7), pp. 1093-1096, 2001. The full citation details ...](Pics/full.jpeg) |
2001 |
DBLP DOI BibTeX RDF |
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28 | Gustavo A. Arteca, Naomi D. Grant |
Electron-density-dependent fused-sphere surfaces derived from pseudopotential calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 13(3), pp. 315-324, 1999. The full citation details ...](Pics/full.jpeg) |
1999 |
DBLP DOI BibTeX RDF |
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28 | Sergei F. Vyboishchikov, Anibal Sierraalta, Gernot Frenking |
Topological analysis of electron density distribution taken from a pseudopotential calculation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 18(3), pp. 416-429, 1997. The full citation details ...](Pics/full.jpeg) |
1997 |
DBLP DOI BibTeX RDF |
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28 | Bruce A. Smart, Carl H. Schiesser |
On the Existence of SH3, and TeH3: Discrepanticies between All-Electron and Pseudopotential Calculations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Chem. ![In: J. Comput. Chem. 16(9), pp. 1055-1066, 1995. The full citation details ...](Pics/full.jpeg) |
1995 |
DBLP DOI BibTeX RDF |
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26 | Shruba Gangopadhyay, Artëm E. Masunov, Eliza Poalelungi, Michael N. Leuenberger |
Prediction of Exchange Coupling Constant for Mn12 Molecular Magnet Using Dft+U. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICCS (2) ![In: Computational Science - ICCS 2009, 9th International Conference, Baton Rouge, LA, USA, May 25-27, 2009, Proceedings, Part II, pp. 151-159, 2009, Springer, 978-3-642-01972-2. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
DFT+U, Heisenberg exchange constant, Molecular magnet, Magnetic Wheel, molecular spintronics, quantum computing |
26 | Dawn M. Shaw, Michael Odelius, John S. Tse |
Utility of High Performance Computing Facilities for the Calculation of the Theoretical X-ray Absorption Spectra of Solids. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HPCS ![In: 21st Annual International Symposium on High Performance Computing Systems and Applications (HPCS 2007), 13-16 May 2007, Saskatoon, Saskatchewan, Canada, pp. 4, 2007, IEEE Computer Society, 978-0-7695-2813-7. The full citation details ...](Pics/full.jpeg) |
2007 |
DBLP DOI BibTeX RDF |
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