6 citations · 12 across the 4 of their papers we have counts for
5 papers
Python in the front, party in the Backline: compiling quantum workloads across CPUs, GPUs, and FPGAs
Joseph K. L. Lee, Mehrdad Malekmohammadi, Hong-Sheng Zheng +10
Moving from quantum research and development to production-grade, fault-tolerant quantum workload execution remains one of the most significant challenges facing quantum platform b…
Efficient Implementation of the Spin-Free Renormalized Internally-Contracted Multireference Coupled Cluster Theory
Kalman Szenes, Riya Kayal, Kantharuban Sivalingam +3
In this paper, an efficient implementation of the renormalized internally-contracted multreference coupled cluster with singles and doubles (RIC-MRCCSD) into the ORCA quantum chemi…
QCMaquis 4.0: Multi-Purpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group
Kalman Szenes, Nina Glaser, Mihael Erakovic +6
QCMaquis is a quantum chemistry software package for general molecular structure calculations in a matrix product state/matrix product operator formalism of the density matrix reno…
Striking the Right Balance of Encoding Electron Correlation in the Hamiltonian and the Wavefunction Ansatz
Kalman Szenes, Maximilian Moerchen, Paul Fischill +1
Multi-configurational electronic structure theory delivers the most versatile approximations to many-electron wavefunctions, flexible enough to deal with all sorts of transformatio…
Domain-specific implementation of high order Discontinuous Galerkin methods in spherical geometry
Kalman Szenes, Niccolò Discacciati, Luca Bonaventura +1
We assess two domain-specific languages included in the GridTools ecosystem as tools for implementing a high-order Discontinuous Galerkin discretization of the shallow water equati…