Manaschai Kunaseth

发表

Hierarchical parallelization and optimization of high-order stencil computations on multicore clusters

Chun Chen, Robert F. Lucas, Jacqueline Chame, 2012, The Journal of Supercomputing.

Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulations

Supa Hannongbua, Aiichiro Nakano, Manaschai Kunaseth, 2019, Comput. Phys. Commun..

Analysis of scalable data-privatization threading algorithms for hybrid MPI/OpenMP parallelization of molecular dynamics

Rajiv K. Kalia, Priya Vashishta, James N. Glosli, 2012, The Journal of Supercomputing.

A Scalable Hierarchical Parallelization Framework for Molecular Dynamics Simulation on Multicore Clusters

Weiqiang Wang, Liu Peng, Rajiv K. Kalia, 2009, PDPTA.

Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters

Weiqiang Wang, Liu Peng, Rajiv K. Kalia, 2011, The Journal of Supercomputing.

Memory-Access Optimization of Parallel Molecular Dynamics Simulation via Dynamic Data Reordering

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2012, Euro-Par.

Comparison of Implicit and Explicit Solvation Models for Iota-Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics

Thanyada Rungrotmongkol, Supot Hannongbua, Peter Wolschann, 2017, J. Chem. Inf. Model..

Shift-Collapse Acceleration of Generalized Polarizable Reactive Molecular Dynamics for Machine Learning-Assisted Computational Synthesis of Layered Materials

Rajiv K. Kalia, Sungwook Hong, Priya Vashishta, 2018, 2018 IEEE/ACM 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (scalA).

Performance Characteristics of Hardware Transactional Memory for Molecular Dynamics Application on BlueGene/Q: Toward Efficient Multithreading Strategies for Large-Scale Scientific Applications

Rajiv K. Kalia, Priya Vashishta, James N. Glosli, 2013, 2013 IEEE International Symposium on Parallel & Distributed Processing, Workshops and Phd Forum.

Divide-Conquer-Recombine: An Algorithmic Pathway toward Metascalability

Rajiv K. Kalia, Kohei Shimamura, Aiichiro Nakano, 2014 .

Metascalable Quantum Molecular Dynamics Simulations of Hydrogen-on-Demand

Paul Messina, Rajiv K. Kalia, Priya Vashishta, 2014, SC14: International Conference for High Performance Computing, Networking, Storage and Analysis.

A scalable parallel algorithm for dynamic range-limited n-tuple computation in many-body molecular dynamics simulation

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2013, 2013 SC - International Conference for High Performance Computing, Networking, Storage and Analysis (SC).

In-Core Optimization of High-Order Stencil Computations

Weiqiang Wang, Liu Peng, Rajiv K. Kalia, 2009, PDPTA.

Performance Modeling, Analysis, and Optimization of Cell-List Based Molecular Dynamics

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2010, CSC.

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials

Putt Sakdhnagool, Shogo Fukushima, Priya Vashishta, 2020, HPC Asia.

Scalable Data-Privatization Threading for Hybrid MPI/OpenMP Parallelization of Molecular Dynamics

Rajiv K. Kalia, Priya Vashishta, James N. Glosli, 2011 .

A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations.

Priya Vashishta, Kohei Shimamura, Aiichiro Nakano, 2014, The Journal of chemical physics.