Refactoring, reengineering and evolution: paths to Geant4 uncertainty quantification and performance improvement

Ongoing investigations for the improvement of Geant4 accuracy and computational performance resulting by refactoring and reengineering parts of the code are discussed. Issues in refactoring that are specific to the domain of physics simulation are identified and their impact is elucidated. Preliminary quantitative results are reported.Comment: To be published in the Proc. CHEP (Computing in High Energy Physics) 201

Quantifying the unknown: issues in simulation validation and their experimental impact

The assessment of the reliability of Monte Carlo simulations is discussed, with emphasis on uncertainty quantification and the related impact on experimental results. Methods and techniques to account for epistemic uncertainties, i.e. for intrinsic knowledge gaps in physics modeling, are discussed with the support of applications to concrete experimental scenarios. Ongoing projects regarding the investigation of epistemic uncertainties in the Geant4 simulation toolkit are reported.Comment: To be published in the Proceedings of the 13th ICATPP Conference on Astroparticle, Particle, Space Physics and Detectors for Physics Applications, Villa Olmo, Como, 3-7 October 201

Assembly and force measurement with SPM-like probes in holographic optical tweezers

We report a high fidelity tomographic reconstruction of the quantum state of photon pairs generated by parametric down-conversion with orbital angular momentum (OAM) entanglement. Our tomography method allows us to estimate an upper and lower bound for the entanglement between the down-converted photons. We investigate the two-dimensional state subspace defined by the OAM states ±ℓ and superpositions thereof, with ℓ=1, 2, ..., 30. We find that the reconstructed density matrix, even for OAMs up to around ℓ=20, is close to that of a maximally entangled Bell state with a fidelity in the range between F=0.979 and F=0.814. This demonstrates that, although the single count-rate diminishes with increasing ℓ, entanglement persists in a large dimensional state space

Topological phase transitions in ultra-cold Fermi superfluids: the evolution from BCS to BEC under artificial spin-orbit fields

We discuss topological phase transitions in ultra-cold Fermi superfluids induced by interactions and artificial spin orbit fields. We construct the phase diagram for population imbalanced systems at zero and finite temperatures, and analyze spectroscopic and thermodynamic properties to characterize various phase transitions. For balanced systems, the evolution from BCS to BEC superfluids in the presence of spin-orbit effects is only a crossover as the system remains fully gapped, even though a triplet component of the order parameter emerges. However, for imbalanced populations, spin-orbit fields induce a triplet component in the order parameter that produces nodes in the quasiparticle excitation spectrum leading to bulk topological phase transitions of the Lifshitz type. Additionally a fully gapped phase exists, where a crossover from indirect to direct gap occurs, but a topological transition to a gapped phase possessing Majorana fermions edge states does not occur.Comment: With no change in text, the labels in the figures are modifie

Optical Conductivity of the Trellis-Lattice t-J Model: Charge Fluctuations in NaV_2O_5

Optical conductivity of the trellis lattice t-J model at quarter filling is calculated by an exact-diagonalization technique on small clusters, whereby the valence state of V ions of NaV_2O_5 is considered. We show that the experimental features at \sim 1 eV, including peak positions, presence of shoulders, and anisotropic spectral weight, can be reproduced in reasonable range of parameter values, only by assuming that the system is in the charge disproportionated ground state. Possible reconciliation with experimental data suggesting the presence of uniform ladders at T>T_c is discussed.Comment: 4 pages, 4 gif figures. Minor revisions have been made. Hardcopies of figures (or the entire manuscript) can be obtained by e-mail request to [email protected]

A performance comparison of the contiguous allocation strategies in 3D mesh connected multicomputers

The performance of contiguous allocation strategies can be significantly affected by the distribution of job execution times. In this paper, the performance of the existing contiguous allocation strategies for 3D mesh multicomputers is re-visited in the context of heavy-tailed distributions (e.g., a Bounded Pareto distribution). The strategies are evaluated and compared using simulation experiments for both First-Come-First-Served (FCFS) and Shortest-Service-Demand (SSD) scheduling strategies under a variety of system loads and system sizes. The results show that the performance of the allocation strategies degrades considerably when job execution times follow a heavy-tailed distribution. Moreover, SSD copes much better than FCFS scheduling strategy in the presence of heavy-tailed job execution times. The results also show that the strategies that depend on a list of allocated sub-meshes for both allocation and deallocation have lower allocation overhead and deliver good system performance in terms of average turnaround time and mean system utilization

Multi-Orbital Molecular Compound (TTM-TTP)I_3: Effective Model and Fragment Decomposition

The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model based on the molecular orbitals (MOs) of TTM-TTP; we set up a two-orbital Hamiltonian for the two MOs near the Fermi energy and determine its full parameters: the transfer integrals, the Coulomb and exchange interactions. The tight-binding band structure obtained from these transfer integrals is consistent with the result of the direct band calculation based on density functional theory. Then, by decomposing the frontier MOs into two parts, i.e., fragments, we find that the stacked TTM-TTP molecules can be described by a two-leg ladder model, while the inter-fragment Coulomb energies are scaled to the inverse of their distances. This result indicates that the fragment picture that we proposed earlier [M.-L. Bonnet et al.: J. Chem. Phys. 132 (2010) 214705] successfully describes the low-energy properties of this compound.Comment: 5 pages, 4 figures, published versio