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Towards Highly scalable Ab Initio Molecular Dynamics (AIMD) Simulations on the Intel Knights Landing Manycore Processor
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470930779.ch3openalex-snapshot
Large‐Scale Plane‐Wave‐Based Density Functional Theory: Formalism, Parallelization, and Applications
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First Principles Estimation of Geochemically Important Transition Metal Oxide Properties
inferredcites →https://doi.org/10.1007/978-3-319-46079-6_24openalex-snapshot
Applying the Roofline Performance Model to the Intel Xeon Phi Knights Landing Processor
inferredcites →https://doi.org/10.1016/j.cpc.2010.04.018openalex-snapshot
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
inferredcites →https://doi.org/10.1016/s0010-4655(01)00413-1openalex-snapshot
Parallel implementation of the projector augmented plane wave method for charged systems
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Coordination and Hydrolysis of Plutonium Ions in Aqueous Solution Using Car–Parrinello Molecular Dynamics Free Energy Simulations
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Molecular dynamics without effective potentials via the Car-Parrinello approach
inferredcites →https://doi.org/10.1088/1742-6596/180/1/012028openalex-snapshot
Hard scaling challenges for ab initio molecular dynamics capabilities in NWChem: Using 100,000 CPUs per second
inferredcites →https://doi.org/10.1093/oso/9780198537953.001.0001openalex-snapshot
Algebraic Riccati Equations
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-snapshot
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevlett.55.2471openalex-snapshot
Unified Approach for Molecular Dynamics and Density-Functional Theory
inferredcites →https://doi.org/10.1103/revmodphys.64.1045openalex-snapshot
Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients
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Communication-Optimal Parallel Recursive Rectangular Matrix Multiplication
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Architecture of Qbox: A scalable first-principles molecular dynamics code
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/cpe.5742openalex-snapshot
A survey on evaluating and optimizing performance of Intel Xeon Phi
inferred← citeshttps://doi.org/10.1007/978-3-319-67630-2_30openalex-snapshot
Performance Evaluation of NWChem Ab-Initio Molecular Dynamics (AIMD) Simulations on the Intel® Xeon Phi™ Processor
inferred← citeshttps://doi.org/10.1016/b978-0-12-821978-2.00094-5openalex-snapshot
NWChem and NWChemEx Plane-Wave Methods
inferred← citeshttps://doi.org/10.1016/bs.arcc.2017.06.006openalex-snapshot
Plane-Wave DFT Methods for Chemistry
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Efficient modeling of ionic and electronic interactions by a resistive memory-based reservoir graph neural network
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Electronic structure simulations in the cloud computing environment
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Simulating the Network Activity of Modern Manycores
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Optimizing Coherence Traffic in Manycore Processors Using Closed-Form Caching/Home Agent Mappings
inferred← citeshttps://doi.org/10.1109/cluster.2018.00019openalex-snapshot
Exploring HPC and Big Data Convergence: A Graph Processing Study on Intel Knights Landing
inferred← citeshttps://doi.org/10.1109/tpds.2018.2826533openalex-snapshot
Optimizations of Unstructured Aerodynamics Computations for Many-core Architectures
inferred← citeshttps://doi.org/10.1109/tpds.2020.3008499openalex-snapshot
Millimeter-Scale and Billion-Atom Reactive Force Field Simulation on Sunway Taihulight
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Effect of Distributed Directories in Mesh Interconnects
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Engineering Solid Electrolyte Interphase Composition by Assessing Decomposition Pathways of Fluorinated Organic Solvents in Lithium Metal Batteries
inferred← citeshttps://doi.org/10.3389/fchem.2020.581058openalex-snapshot
On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters
inferred← citeshttps://doi.org/10.48550/arxiv.2011.05422openalex-snapshot
Coherence Traffic in Manycore Processors with Opaque Distributed Directories
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