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4 papers · 1 filter
Complexity Reduction in Large Quantum Systems: Fragment Identification and Population Analysis via a Local Optimized Minimal Basis
Stephan Mohr, Michel Masella, Laura E. Ratcliff +1
We present, within Kohn-Sham Density Functional Theory calculations, a quantitative method to identify and assess the partitioning of a large quantum mechanical system into fragmen…
Doing Moore with Less -- Leapfrogging Moore's Law with Inexactness for Supercomputing
Sven Leyffer, Stefan M. Wild, Mike Fagan +4
Energy and power consumption are major limitations to continued scaling of computing systems. Inexactness, where the quality of the solution can be traded for energy savings, has b…
Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the TiO Magnéli phase
Anouar Benali, Luke Shulenburger, Jaron T. Krogel +3
The Magnéli phase TiO is an important transition metal oxide with a wide range of applications because of its interplay between charge, spin, and lattice degrees of freedom…
Strongly interacting dynamics and the search for new physics at the LHC
Thomas Appelquist, Richard C. Brower, George T. Fleming +11
We present results for the spectrum of a strongly interacting SU(3) gauge theory with light fermions in the fundamental representation. Carrying out non-perturbative latt…