Aiichiro Nakano
Orcid: 0000-0003-3228-3896Affiliations:
- University of Southern California, Los Angeles, USA
According to our database1,
Aiichiro Nakano
authored at least 87 papers
between 1997 and 2024.
Collaborative distances:
Collaborative distances:
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Bibliography
2024
Exploring the Global Reaction Coordinate for Retinal Photoisomerization: A Graph Theory-Based Machine Learning Approach.
J. Chem. Inf. Model., 2024
Proceedings of the IEEE International Parallel and Distributed Processing Symposium, 2024
2023
Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization.
Proceedings of the High Performance Computing - 38th International Conference, 2023
2022
VLA-SMILES: Variable-Length-Array SMILES Descriptors in Neural Network-Based QSAR Modeling.
Mach. Learn. Knowl. Extr., 2022
CoRR, 2022
2021
SoftwareX, 2021
MISTIQS: An open-source software for performing quantum dynamics simulations on quantum computers.
SoftwareX, 2021
Dielectric Polymer Property Prediction Using Recurrent Neural Networks with Optimizations.
J. Chem. Inf. Model., 2021
Proceedings of the IEEE International Parallel and Distributed Processing Symposium Workshops, 2021
2020
RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution.
SoftwareX, 2020
sDMD: An open source program for discontinuous molecular dynamics simulation of protein folding and aggregation.
Comput. Phys. Commun., 2020
Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations.
Comput. Phys. Commun., 2020
CoRR, 2020
CoRR, 2020
Proceedings of the 2020 IEEE International Parallel and Distributed Processing Symposium Workshops, 2020
Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2020
2019
SoftwareX, 2019
Game-Engine-Assisted Research platform for Scientific computing (GEARS) in Virtual Reality.
SoftwareX, 2019
Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean.
J. Comput. Chem., 2019
Comput. Sci. Eng., 2019
PAR2: Parallel Random Walk Particle Tracking Method for solute transport in porous media.
Comput. Phys. Commun., 2019
Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulations.
Comput. Phys. Commun., 2019
WaterAlignment: Identification of displaced water molecules in molecular docking using Jonker and Volgenant shortest path augmentation for linear assignment.
Comput. Phys. Commun., 2019
2018
Proceedings of the International Conference on High Performance Computing in Asia-Pacific Region, 2018
2017
Massively parallel inverse rendering using Multi-objective Particle Swarm Optimization.
J. Vis., 2017
A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics.
Comput. Phys. Commun., 2017
2016
A high-throughput multiobjective genetic-algorithm workflow for <i>in situ</i> training of reactive molecular-dynamics force fields.
Proceedings of the 24th High Performance Computing Symposium, 2016
Order-Invariant Real Number Summation: Circumventing Accuracy Loss for Multimillion Summands on Multiple Parallel Architectures.
Proceedings of the 2016 IEEE International Parallel and Distributed Processing Symposium, 2016
2015
An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations.
Comput. Phys. Commun., 2015
Proceedings of the SIGGRAPH Asia 2015 Visualization in High Performance Computing, 2015
2014
Proceedings of the International Conference for High Performance Computing, 2014
2013
Analysis of scalable data-privatization threading algorithms for hybrid MPI/OpenMP parallelization of molecular dynamics.
J. Supercomput., 2013
Scalability study of molecular dynamics simulation on Godson-T many-core architecture.
J. Parallel Distributed Comput., 2013
Comput. Phys. Commun., 2013
A scalable parallel algorithm for dynamic range-limited <i>n</i>-tuple computation in many-body molecular dynamics simulation.
Proceedings of the International Conference for High Performance Computing, 2013
Performance Characteristics of Hardware Transactional Memory for Molecular Dynamics Application on BlueGene/Q: Toward Efficient Multithreading Strategies for Large-Scale Scientific Applications.
Proceedings of the 2013 IEEE International Symposium on Parallel & Distributed Processing, 2013
2012
Hierarchical parallelization and optimization of high-order stencil computations on multicore clusters.
J. Supercomput., 2012
Proceedings of the 2012 SC Companion: High Performance Computing, 2012
Memory-Access Optimization of Parallel Molecular Dynamics Simulation via Dynamic Data Reordering.
Proceedings of the Euro-Par 2012 Parallel Processing - 18th International Conference, 2012
2011
Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters.
J. Supercomput., 2011
Performance analysis and optimization of molecular dynamics simulation on <i>Godson-T</i> many-core processor.
Proceedings of the 8th Conference on Computing Frontiers, 2011
2010
Dynamic Structure Learning of Factor Graphs and Parameter Estimation of a Constrained Nonlinear Predictive Model for Oilfield Optimization.
Proceedings of the 2010 International Conference on Artificial Intelligence, 2010
Preliminary Investigation of Accelerating Molecular Dynamics Simulation on Godson-T Many-Core Processor.
Proceedings of the Euro-Par 2010 Parallel Processing Workshops, 2010
Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics.
Proceedings of the 2010 International Conference on Scientific Computing, 2010
2009
Parallel Process. Lett., 2009
A hybrid multi-loop genetic-algorithm/simplex/spatial-grid method for locating the optimum orientation of an adsorbed protein on a solid surface.
Comput. Phys. Commun., 2009
A Scalable Hierarchical Parallelization Framework for Molecular Dynamics Simulation on Multicore Clusters.
Proceedings of the International Conference on Parallel and Distributed Processing Techniques and Applications, 2009
In-Core Optimization of High-Order Stencil Computations.
Proceedings of the International Conference on Parallel and Distributed Processing Techniques and Applications, 2009
Proceedings of the 23rd IEEE International Symposium on Parallel and Distributed Processing, 2009
A metascalable computing framework for large spatiotemporal-scale atomistic simulations.
Proceedings of the 23rd IEEE International Symposium on Parallel and Distributed Processing, 2009
Proceedings of the Euro-Par 2009 Parallel Processing, 2009
Proceedings of the 9th IEEE/ACM International Symposium on Cluster Computing and the Grid, 2009
2008
Int. J. High Perform. Comput. Appl., 2008
A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations.
Comput. Phys. Commun., 2008
A space-time-ensemble parallel nudged elastic band algorithm for molecular kinetics simulation.
Comput. Phys. Commun., 2008
Model-guided performance tuning of parameter values: A case study with molecular dynamics visualization.
Proceedings of the 22nd IEEE International Symposium on Parallel and Distributed Processing, 2008
Proceedings of the Euro-Par 2008, 2008
2007
Parallel history matching and associated forecast at the center for interactive smart oilfield technologies.
J. Supercomput., 2007
Multimillion atom simulations of dynamics of wing cracks and nanoscale damage in glass, and hypervelocity impact damage in ceramics.
Comput. Phys. Commun., 2007
Comput. Phys. Commun., 2007
Proceedings of the 21th International Parallel and Distributed Processing Symposium (IPDPS 2007), 2007
2006
Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks.
Comput. Phys. Commun., 2006
Grid applications - Sustainable adaptive grid supercomputing: multiscale simulation of semiconductor processing across the pacific.
Proceedings of the ACM/IEEE SC2006 Conference on High Performance Networking and Computing, 2006
2005
Embedded divide-and-conquer algorithm on hierarchical real-space grids: parallel molecular dynamics simulation based on linear-scaling density functional theory.
Comput. Phys. Commun., 2005
2004
Comput. Phys. Commun., 2004
2003
Presence Teleoperators Virtual Environ., 2003
Comput. Sci. Eng., 2003
Comput. Sci. Eng., 2003
Scalability of a Low-Cost Multi-Teraflop Linux Cluster for High-End Classical Atomistic and Quantum Mechanical Simulations.
Proceedings of the 17th International Parallel and Distributed Processing Symposium (IPDPS 2003), 2003
2002
Proceedings of the IEEE Virtual Reality Conference 2002, 2002
Collaborative simulation grid: multiscale quantum-mechanical/classical atomistic simulations on distributed PC clusters in the US and Japan.
Proceedings of the 2002 ACM/IEEE conference on Supercomputing, 2002
Proceedings of the High Performance Computing, 2002
2001
2000
A scalable molecular-dynamics algorithm suite for materials simulations: design-space diagram on 1024 Cray T3E processors.
Future Gener. Comput. Syst., 2000
1999
A Rigid-Body-Based Multiple Time Scale Molecular Dynamics Simulation of Nanophase Materials.
Int. J. High Perform. Comput. Appl., 1999
Scalable molecular-dynamics, visualization, and data management algorithms for materials simulations.
Comput. Sci. Eng., 1999
Concurr. Pract. Exp., 1999
1998
Multilevel Algorithms for Large-scope Molecular Dynamics Simulations of Nanostructures on Parallel Computers.
VLSI Design, 1998
1997
An Adaptive Curvilinear-Coordinate Approach to Dynamic Load Balancing of Parallel Multiresolution Molecular Dynamics.
Parallel Comput., 1997