Simulations - utilizing computers to solve complicated science and engineering problems - are a key ingredient of modern science. The U.S. Department of Energy (DOE) is a world leader in the development of high-performance computing (HPC), the develo
pment of applied math and algorithms that utilize the full potential of HPC platforms, and the application of computing to science and engineering problems. An interesting general question is whether the DOE can strategically utilize its capability in simulations to advance innovation more broadly. In this article, I will argue that this is certainly possible.
Rotational motion of heated 72-Ge is studied within the microscopic Shell Model Monte Carlo approach. We investigate the the angular momentum alignment and nuclear pairing correlations associated with J-pi Cooper pairs as a function of the rotational
frequency and temperature. The reentrance of pairing correlations with temperature is predicted at high rotational frequencies. It manifests itself through the anomalous behavior of specific heat and level density.
We derive coupled-cluster equations for three-body Hamiltonians. The equations for the one- and two-body cluster amplitudes are presented in a factorized form that leads to an efficient numerical implementation. We employ low-momentum two- and three-
nucleon interactions and calculate the binding energy of He-4. The results show that the main contribution of the three-nucleon interaction stems from its density-dependent zero-, one-, and two-body terms that result from the normal ordering of the Hamiltonian in coupled-cluster theory. The residual three-body terms that remain after normal ordering can be neglected.
In a recent Letter [Phys. Rev. Lett. 99, 092501 (2007)], Roth and Navratil present an importance-truncation scheme for the no-core shell model. The authors claim that their truncation scheme leads to converged results for the ground state of 40-Ca. W
e believe that this conclusion cannot be drawn from the results presented in the Letter. Furthermore, the claimed convergence is at variance with expectations of many-body theory. In particular, coupled-cluster calculations indicate that a significant fraction of the correlation energy is missing.
Nuclear theory today aims for a comprehensive theoretical framework that can describe all nuclei. I discuss recent progress in this pursuit and the associated challenges as we move forward.
