GitHub

Towards quantum-centric simulations of extended molecules: sample-based quantum ...

密度行列埋め込み理論(DMET)とサンプルベースの量子対角化手法(SQD)を組合せ、分子物性計算を実施。41, 89量子ビットの全分子計算をそれぞれ27, 32量子ビットの活性領域シミュレーションに分解した計算を行い、古典と一致する結果を得た。
Oak Ridge National Lab

Accelerating the density-functional tight-binding method using graphical processing units

Acceleration of the density-functional tight-binding (DFTB) method on single and multiple graphical processing units (GPUs) was accomplished using the MAGMA linear algebra library. Two major ...
C&EN

Q-Next: A Fast, Parallel, and Diagonalization-Free Alternative to Direct Inversion of the ...

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to ...
GitHub

Use diagonalization instead of scipy.expm in the cases where it's faster (matrix dim <~ 1600)

When taking the matrix exponential of an Hermitean matrix M (for example to compute the time evolution operator from the Hamiltonian of a closed system) it is sometimes faster to first diagonalize the ...
Time

Everything To Remember About the Matrix Trilogy Before You See The Matrix Resurrections

Grebey is a contributor for TIME. Keanu Reeves and Hugo Weaving face each other in a scene from 'The Matrix.' Keanu Reeves and Hugo Weaving face each other in a scene from 'The Matrix.'Ronald ...
C&EN

Addition to “Practical Training in Simple Hückel Theory: Matrix Diagonalization via ...

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