Search results for "LAMMPS"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
133	Rajesh Sudarsan, Calvin J. Ribbens, Diana Farkas	Dynamic Resizing of Parallel Scientific Simulations: A Case Study Using LAMMPS.	ICCS (1)	2009	DBLP DOI BibTeX RDF	LAMMPS, parallel clusters, dynamic scheduling, data redistribution
56	Mingze Bai, Yusheng Dou, Hong Tang, Shixin Sun	Performance of LAMMPS Code on Intel Quad-Core Xeon.	NPC	2009	DBLP DOI BibTeX RDF	Performance LAMMPS multi-core
56	Ananth Nallamuthu, Melissa C. Smith, Scott S. Hampton, Pratul K. Agarwal, Sadaf R. Alam	Energy efficient biomolecular simulations with FPGA-based reconfigurable computing.	Conf. Computing Frontiers	2010	DBLP DOI BibTeX RDF	biomolecular simulations, lammps, fpga, reconfigurable computing, molecular dynamics
51	Colin Denniston, Navid Afrasiabian, M. G. Cole-André, F. E. Mackay, Santtu T. T. Ollila, Tyson Whitehead	LAMMPS lb/fluid fix version 2: Improved hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid.	Comput. Phys. Commun.	2022	DBLP DOI BibTeX RDF
51	Steven Manos, Marco D. Mazzeo, Owain Kenway, Peter V. Coveney, Nicholas T. Karonis, Brian R. Toonen	Distributed mpi cross-site run performance using mpig.	HPDC	2008	DBLP DOI BibTeX RDF	mpig, distributed computing, advance reservation, medical computing
26	Gokul Raman Arumugam Kumar, James P. Andrews, Ulf D. Schiller	Implementation of a ternary lattice Boltzmann model in LAMMPS.	Comput. Phys. Commun.	2024	DBLP DOI BibTeX RDF
26	Nicodemo Di Pasquale, Ruslan L. Davidchack, Lorenzo Rovigatti	CLEAVING: a LAMMPS package to compute surface free energies.	J. Open Source Softw.	2024	DBLP DOI BibTeX RDF
26	Andres R. Tejedor, Ignacio Sanchez-Burgos, Eduardo Sanz, Carlos Vega, Felipe J. Blas, Ruslan L. Davidchack, Nicodemo Di Pasquale, Jorge Ramirez, Jorge R. Espinosa	Mold: a LAMMPS package to compute interfacial free energies and nucleation rates.	J. Open Source Softw.	2024	DBLP DOI BibTeX RDF
26	Khanh Dang, Jie Chen, Brian Rodgers, Saryu Fensin	LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP.	Comput. Phys. Commun.	2023	DBLP DOI BibTeX RDF
26	Germain Clavier, Aidan P. Thompson	Computation of the thermal elastic constants for arbitrary manybody potentials in LAMMPS using the stress-fluctuation formalism.	Comput. Phys. Commun.	2023	DBLP DOI BibTeX RDF
26	Nick Hagerty, Verónica G. Melesse Vergara, Arnold N. Tharrington	Studying performance portability of LAMMPS across diverse GPU-based platforms.	Concurr. Comput. Pract. Exp.	2023	DBLP DOI BibTeX RDF
26	Andrew Rohskopf, C. Sievers, Nicholas Lubbers, Mary Alice Cusentnio, James Goff, Jan Janssen, Megan McCarthy, David Montes Oca de Zapiain, Svetoslav Nikolov, Khachik Sargsyan, Dionysios Sema, Ember Sikorski, Logan Williams, Aidan P. Thompson, Mitchell A. Wood	FitSNAP: Atomistic machine learning with LAMMPS.	J. Open Source Softw.	2023	DBLP DOI BibTeX RDF
26	Paul J. Atzberger	MLMOD: Machine Learning Methods for Data-Driven Modeling in LAMMPS.	J. Open Source Softw.	2023	DBLP DOI BibTeX RDF
26	Pawan Panwar, Quanpeng Yang, Ashlie Martini	PyL3dMD: Python LAMMPS 3D molecular descriptors package.	J. Cheminformatics	2023	DBLP DOI BibTeX RDF
26	Jianxiong Li, Tong Zhao, Zhuoqiang Guo, Shunchen Shi, Lijun Liu, Guangming Tan, Weile Jia, Guojun Yuan, Zhan Wang	Enhance the Strong Scaling of LAMMPS on Fugaku.	SC	2023	DBLP DOI BibTeX RDF
26	Nariman Piroozan, Nalini Kumar	Enabling Performant Thermal Conductivity Modeling with DeePMD and LAMMPS on CPUs.	SC Workshops	2023	DBLP DOI BibTeX RDF
26	Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger, Dan S. Bolintineanu, W. Michael Brown, Paul S. Crozier, Pieter J. in 't Veld, Axel Kohlmeyer, Stan G. Moore, Trung Dac Nguyen, Ray Shan, Mark J. Stevens, Julien Tranchida, Christian Trott, Steven J. Plimpton	LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales.	Comput. Phys. Commun.	2022	DBLP DOI BibTeX RDF
26	Joseph R. Cooke III, Jennifer R. Lukes	An implicit spin lattice dynamics integrator in LAMMPS.	Comput. Phys. Commun.	2022	DBLP DOI BibTeX RDF
26	Jiuyang Liang, Jiaxing Yuan, Zhenli Xu	HSMA: An O(N) electrostatics package implemented in LAMMPS.	Comput. Phys. Commun.	2022	DBLP DOI BibTeX RDF
26	Masataka Yamauchi, Giovanni La Penna, Satoru G. Itoh, Hisashi Okumura	Implementations of replica-permutation and replica sub-permutation methods into LAMMPS.	Comput. Phys. Commun.	2022	DBLP DOI BibTeX RDF
26	Paul J. Atzberger	MLMOD Package: Machine Learning Methods for Data-Driven Modeling in LAMMPS.	CoRR	2021	DBLP BibTeX RDF
26	Karl D. Hammond	Parallel point defect identification in molecular dynamics simulations without post-processing: A compute and dump style for LAMMPS.	Comput. Phys. Commun.	2020	DBLP DOI BibTeX RDF
26	Morteza Jalalvand, Mohammad A. Charsooghi, Sarah Mohammadinejad	Smoothed Dissipative Particle Dynamics package for LAMMPS.	Comput. Phys. Commun.	2020	DBLP DOI BibTeX RDF
26	Vikram Khanna, Jacob I. Monroe, Michael F. Doherty, Baron Peters	Performing solvation free energy calculations in LAMMPS using the decoupling approach.	J. Comput. Aided Mol. Des.	2020	DBLP DOI BibTeX RDF
26	Rahulkumar Gayatri, Stan G. Moore, Evan Weinberg, Nicholas Lubbers, Sarah Anderson, Jack Deslippe, Danny Perez, Aidan P. Thompson	Rapid Exploration of Optimization Strategies on Advanced Architectures using TestSNAP and LAMMPS.	CoRR	2020	DBLP BibTeX RDF
26	Seyed Hossein Jamali, Ludger Wolff, Tim M. Becker, Mariëtte de Groen, Mahinder Ramdin, Remco Hartkamp, André Bardow, Thijs J. H. Vlugt, Othonas A. Moultos	OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
26	Michael T. Humbert, Yong Zhang 0041, Edward J. Maginn	PyLAT: Python LAMMPS Analysis Tools.	J. Chem. Inf. Model.	2019	DBLP DOI BibTeX RDF
26	Andrey A. Shemukhin, Anton V. Nazarov, Anton V. Stepanov	LAMMPS Code Simulation of the Defect Formation Induced by Ion Incidence in Carbon Nanotubes.	Supercomput. Front. Innov.	2019	DBLP DOI BibTeX RDF
26	Vsevolod P. Nikolskiy, Vladimir V. Stegailov	GPU Acceleration of Four-Site Water Models in LAMMPS.	PARCO	2019	DBLP DOI BibTeX RDF
26	Jifu Tan, Talid Sinno, Scott L. Diamond	A parallel fluid-solid coupling model using LAMMPS and Palabos based on the immersed boundary method.	J. Comput. Sci.	2018	DBLP DOI BibTeX RDF
26	Xiaohui Duan, Ping Gao 0005, Tingjian Zhang, Meng Zhang, Weiguo Liu, Wusheng Zhang, Wei Xue, Haohuan Fu, Lin Gan, Dexun Chen, Xiangxu Meng, Guangwen Yang	Redesigning LAMMPS for peta-scale and hundred-billion-atom simulation on Sunway TaihuLight.	SC	2018	DBLP BibTeX RDF
26	José A. Moríñigo, Pablo García-Muller, Antonio J. Rubio-Montero, Antonio Gómez-Iglesias, Norbert Meyer, Rafael Mayo-García	Benchmarking LAMMPS: Sensitivity to Task Location Under CPU-Based Weak-Scaling.	CARLA	2018	DBLP DOI BibTeX RDF
26	Szu-Pei Fu, Zhangli Peng, Hongyan Yuan, R. Kfoury, Yuan-Nan Young	Lennard-Jones type pair-potential method for coarse-grained lipid bilayer membrane simulations in LAMMPS.	Comput. Phys. Commun.	2017	DBLP DOI BibTeX RDF
26	William McDoniel, Markus Höhnerbach, Rodrigo Canales, Ahmed E. Ismail, Paolo Bientinesi	LAMMPS' PPPM Long-Range Solver for the Second Generation Xeon Phi.	CoRR	2017	DBLP BibTeX RDF
26	William McDoniel, Markus Höhnerbach, Rodrigo Canales, Ahmed E. Ismail, Paolo Bientinesi	LAMMPS' PPPM Long-Range Solver for the Second Generation Xeon Phi.	ISC	2017	DBLP DOI BibTeX RDF
26	Antonino Favata, Andrea Micheletti, Seunghwa Ryu, Nicola M. Pugno	An analytical benchmark and a Mathematica program for MD codes: Testing LAMMPS on the 2nd generation Brenner potential.	Comput. Phys. Commun.	2016	DBLP DOI BibTeX RDF
26	Y. Wang, Jon Karl Sigurdsson, Paul J. Atzberger	Fluctuating Hydrodynamics Methods for Dynamic Coarse-Grained Implicit-Solvent Simulations in LAMMPS.	SIAM J. Sci. Comput.	2016	DBLP DOI BibTeX RDF
26	Alain Dequidt, Julien Devémy, Agílio A. H. Pádua	Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator.	J. Chem. Inf. Model.	2016	DBLP DOI BibTeX RDF
26	Daniel Tameling, Paolo Bientinesi, Ahmed E. Ismail	A Note on Time Measurements in LAMMPS.	CoRR	2016	DBLP BibTeX RDF
26	Silvio Rizzi, Mark Hereld, Joseph A. Insley, Preeti Malakar, Michael E. Papka, Thomas D. Uram, Venkatram Vishwanath	Coupling LAMMPS and the vl3 Framework for Co-Visualization of Atomistic Simulations.	IPDPS Workshops	2016	DBLP DOI BibTeX RDF
26	Kai Li 0010, Xia Lin, Jane Greenberg	Software citation, reuse and metadata considerations: An exploratory study examining LAMMPS.	ASIST	2016	DBLP DOI BibTeX RDF
26	Changru Ma, Layla Martin-Samos, Stefano Fabris, Alessandro Laio, Simone Piccinin	QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO and LAMMPS.	Comput. Phys. Commun.	2015	DBLP DOI BibTeX RDF
26	Takenobu Nakamura, Shuhei Kawamoto, Wataru Shinoda	Precise calculation of the local pressure tensor in Cartesian and spherical coordinates in LAMMPS.	Comput. Phys. Commun.	2015	DBLP DOI BibTeX RDF
26	Liang-Chun Liu, Jer-Lai Kuo	A LAMMPS implementation of volume-temperature replica exchange molecular dynamics.	Comput. Phys. Commun.	2015	DBLP DOI BibTeX RDF
26	Silvio Rizzi, Mark Hereld, Joseph A. Insley, Michael E. Papka, Thomas D. Uram, Venkatram Vishwanath	Large-scale co-visualization for LAMMPS using vl3.	LDAV	2015	DBLP DOI BibTeX RDF
26	Chunyan Tang, Aurélien Bouteiller, Thomas Hérault, Manjunath Gorentla Venkata, George Bosilca	From MPI to OpenSHMEM: Porting LAMMPS.	OpenSHMEM	2015	DBLP DOI BibTeX RDF
26	Adam Jundt, Ananta Tiwari, William A. Ward Jr., Roy L. Campbell, Laura Carrington	Optimizing codes on the Xeon Phi: a case-study with LAMMPS.	XSEDE	2015	DBLP DOI BibTeX RDF
26	Ian A. Cosden, Jennifer R. Lukes	A hybrid atomistic-continuum model for fluid flow using LAMMPS and OpenFOAM.	Comput. Phys. Commun.	2013	DBLP DOI BibTeX RDF
26	F. E. Mackay, Santtu T. T. Ollila, Colin Denniston	Hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid.	Comput. Phys. Commun.	2013	DBLP DOI BibTeX RDF
26	Kwangho Cha	Performance Evaluation of LAMMPS on Multi-core Systems.	HPCC/EUC	2013	DBLP DOI BibTeX RDF
26	Carsten Svaneborg	LAMMPS framework for dynamic bonding and an application modeling DNA.	Comput. Phys. Commun.	2012	DBLP DOI BibTeX RDF
26	Christian Ringl, Herbert M. Urbassek	A LAMMPS implementation of granular mechanics: Inclusion of adhesive and microscopic friction forces.	Comput. Phys. Commun.	2012	DBLP DOI BibTeX RDF
26	Yuxing Peng 0002, Chris Knight 0001, Philip D. Blood, Lonnie D. Crosby, Gregory A. Voth	Extending parallel scalability of LAMMPS and multiscale reactive molecular simulations.	XSEDE	2012	DBLP DOI BibTeX RDF
26	Tomas Oppelstrup, Alexander Stukowski, Jaime Marian	Poster: a highly efficient MGPT implementation for LAMMPS; with strong scaling.	SC Companion	2011	DBLP DOI BibTeX RDF
26	Benjamin FrantzDale, Steven J. Plimpton, Mark S. Shephard	Software components for parallel multiscale simulation: an example with LAMMPS.	Eng. Comput.	2010	DBLP DOI BibTeX RDF
26	Chuanfu Luo, Jens-Uwe Sommer	Coding coarse grained polymer model for LAMMPS and its application to polymer crystallization.	Comput. Phys. Commun.	2009	DBLP DOI BibTeX RDF
26	Ling Ti Kong, Guido Bartels, Carlos Campañá, Colin Denniston, Martin H. Müser	Implementation of Green's function molecular dynamics: An extension to LAMMPS.	Comput. Phys. Commun.	2009	DBLP DOI BibTeX RDF
25	Sadaf R. Alam, Pratul K. Agarwal, Scott S. Hampton, Hong Ong, Jeffrey S. Vetter	Impact of multicores on large-scale molecular dynamics simulations.	IPDPS	2008	DBLP DOI BibTeX RDF
25	Matthew J. Koop, Sayantan Sur, Dhabaleswar K. Panda 0001	Zero-copy protocol for MPI using infiniband unreliable datagram.	CLUSTER	2007	DBLP DOI BibTeX RDF