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04/06/2023
A computation of D(9) using FPGA Supercomputing
This preprint makes the claim of having computed the 9^th Dedekind Numbe...
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04/16/2021
Enabling Electronic Structure-Based Ab-Initio Molecular Dynamics Simulations with Hundreds of Millions of Atoms
We push the boundaries of electronic structure-based ab-initio molecular...
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04/22/2020
A Submatrix-Based Method for Approximate Matrix Function Evaluation in the Quantum Chemistry Code CP2K
Electronic structure calculations based on density-functional theory (DF...
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07/19/2019
Accurate Sampling with Noisy Forces from Approximate Computing
In scientific computing, the acceleration of atomistic computer simulati...
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10/30/2017
A Massively Parallel Algorithm for the Approximate Calculation of Inverse p-th Roots of Large Sparse Matrices
We present the submatrix method, a highly parallelizable method for the ...
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03/07/2017