34 citations · 45 across the 7 of their papers we have counts for
8 papers
Demonstration of Parallel Multi-QPU Execution for Fragment-Based Quantum Chemistry Using On-Premises Hardware
Nils Herrmann, Mariam Akhtar, Luke W. Bertels +21
Fragment molecular orbital (FMO) quantum chemistry offers a natural route to parallel quantum computing: large molecular calculations can be decomposed into smaller quantum subprob…
First quantum machine learning applications on an on-site room-temperature quantum computer
Nils Herrmann, Mariam Akhtar, Daanish Arya +5
We demonstrate - for the first time - the application of a quantum machine learning (QML) algorithm on an on-site room-temperature quantum computer. A two-qubit quantum computer in…
Quantum utility -- definition and assessment of a practical quantum advantage
Nils Herrmann, Daanish Arya, Marcus W. Doherty +4
Several benchmarks have been proposed to holistically measure quantum computing performance. While some have focused on the end user's perspective (e.g., in application-oriented be…
Software for Massively Parallel Quantum Computing
Thien Nguyen, Daanish Arya, Marcus Doherty +5
Quantum computing has the potential to offer substantial computational advantages over conventional computing. Recent advances in quantum computing hardware and algorithms have ena…
A correctly scaling rigorously spin-adapted and spin-complete open-shell CCSD implementation for arbitrary high-spin states
Nils Herrmann, Michael Hanrath
In this paper, we report on a correctly scaling novel coupled cluster singles and doubles (CCSD) implementation for arbitrary high-spin open-shell states. The chosen cluster operat…
Analysis of Different Sets of Spin-Adapted Substitution Operators in Open-Shell Coupled Cluster Theory
Nils Herrmann, Michael Hanrath
In spin-adapted open-shell coupled cluster (CC) theory, the choice of spin-free spatial substitution operators is generally not unique. Due to an increasing linear dependence of th…
Generation of Spin-Adapted and Spin-Complete Substitution Operators for (High-Spin) Open-Shell Coupled Cluster of Arbitrary Order
Nils Herrmann, Michael Hanrath
A rigorous generation of spin-adapted (spin-free) substitution operators for high spin () references of arbitrary substitution order and spin quantum number is presented…
Automatic Routing of Goldstone Diagrams using Genetic Algorithms
Nils Herrmann, Michael Hanrath
This paper presents an algorithm for an automatic transformation (=routing) of time ordered topologies of Goldstone diagrams (i.e. Wick contractions) into graphical representations…