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We propose to measure the importance of spin-orbit couplings (SOCs) in the nonadiabatic molecular quantum dynamics rigorously with quantum fidelity. To make the criterion practical, quantum fidelity is estimated efficiently with the multiple-surface dephasing ...
We present CafeSat, a SAT solver written in the Scala programming language. CafeSat is a modern solver based on DPLL and featuring many state-of-the-art techniques and heuristics. It uses two-watched literals for Boolean constraint propagation, conflict-dr ...
In this work, we revisit the role of nuclear quantum effects on the structural and electronic properties of the excess proton in bulk liquid water using advanced molecular dynamics techniques. The hydronium ion is known to be a weak acceptor of a hydrogen ...
We describe a general and exact method to considerably speed up linear object detection systems operating in a sliding, multi-scale window fashion, such as the individual part detectors of part-based models. The main bottleneck of many of those systems is ...
This thesis is focused on classical and semiclassical approximations of a specific quantum time correlation function, the “quantum fidelity.” Namely, we rigorously study the efficiency of a continuous class of algorithms for the evaluation of its classical ...
Probabilistic matrix factorization methods aim to extract meaningful correlation structure from an incomplete data matrix by postulating low rank constraints. Recently, variational Bayesian (VB) inference techniques have successfully been applied to such l ...
We explore three specific approaches for speeding up the calculation of quantum time correlation functions needed for time-resolved electronic spectra. The first relies on finding a minimum set of sufficiently accurate electronic surfaces. The second incre ...
This paper examines the relative effectiveness of fixed priority pre-emptive scheduling in a uniprocessor system, compared to an optimal algorithm. The quantitative metric used in this comparison is the processor speedup factor, equivalent to the factor by ...
A systematic study was carried out to assess property changes in CaCu3Ti4O12 thin films upon annealing in air in order to evaluate the impact of oxygen vacancies on their colossal dielectric constant behavior. Highly preferentially oriented thin-film sampl ...
The negation map can be used to speed up the Pollard rho method to compute discrete logarithms in groups of elliptic curves over finite fields. It is well known that the random walks used by Pollard rho when combined with the negation map get trapped in fr ...
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