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Transfer and Active Learning of High Dimensional Neural Network Potentials for Transition Metal Clusters and Bulk

Publications Research Square

Understanding Impact of Lossy Compression on Derivative-Related Metrics in Scientific Datasets

Publications 2022 IEEE/ACM 8th International Workshop on Data Analysis and Reduction for Big Scientific Data (DRBSD)

Tensor Network Quantum Simulator with Step-Dependent Parallelization

Publications 2022 IEEE International Conference on Quantum Computing and Engineering (QCE)

MRSch: Multi-Resource Scheduling for HPC

Publications 2022 IEEE International Conference on Cluster Computing (CLUSTER)

Beamline Design and Optimisation for High Intensity Muon Beams at PSI

Publications Journal of Physics: Conference Series

A High-Performance Design for Hierarchical Parallelism in the Qmcpack Monte Carlo Code

Publications 2022 IEEE/ACM International Workshop on Hierarchical Parallelism for Exascale Computing (HiPar)

Software Tools to Enable Immersive Simulation

Publications Engineering with Computers

A Thermoelectric Materials Database Auto-Generated from the Scientific Literature Using ChemDataExtractor

Publications Scientific Data

A Visual Analytics Method for Time-Series Log Data Using Multiple Dimensionality Reduction

Publications Journal of Advanced Simulation in Science and Engineering

True Molecular Conformation and Structure Determination by Three-Dimensional Electron Diffraction of Pah By-Products Potentially Useful For Electronic Applications

Publications IUCrJ

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