Showing 1–20 of 25 results
/ Date/ Name
Feb 4, 2022Parallel Quantum Chemistry on Noisy Intermediate-Scale Quantum ComputersOct 17, 2021High Level Synthesis Implementation of a Three-dimensional Systolic Array Architecture for Matrix Multiplications on Intel Stratix 10 FPGAsApr 16, 2021Towards Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of AtomsJun 15, 2020Efficient Ab-Initio Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGAsMar 14, 2025Benchmarking semi-empirical quantum chemical methods on liquid waterJul 19, 2019Accurate Sampling with Noisy Forces from Approximate ComputingMar 4, 2017A General Algorithm to Calculate the Inverse Principal $p$-th Root of Symmetric Positive Definite MatricesOct 30, 2017A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse MatricesApr 23, 2020Evaluating FPGA Accelerator Performance with a Parameterized OpenCL Adaptation of the HPCChallenge Benchmark SuiteOct 26, 2020High-Performance Spectral Element Methods on Field-Programmable Gate ArraysMar 8, 2020CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure CalculationsMay 24, 2022Breaking the Exascale Barrier for the Electronic Structure Problem in Ab-Initio Molecular DynamicsApr 6, 2023A computation of D(9) using FPGA SupercomputingApr 22, 2020A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2KFeb 28, 2022Multi-FPGA Designs and Scaling of HPC Challenge Benchmarks via MPI and Circuit-Switched Inter-FPGA NetworksSep 26, 2022Roadmap on Electronic Structure Codes in the Exascale EraMar 23, 2023Computing and Compressing Electron Repulsion Integrals on FPGAsDec 12, 2014Easy-to-Use On-the-Fly Binary Program Acceleration on Many-CoresMar 7, 2017Using Approximate Computing for the Calculation of Inverse Matrix p-th RootsApr 3, 2024Scalable quantum detector tomography by high-performance computing