Louisiana State University

About: Louisiana State University is a education organization based out in Baton Rouge, Louisiana, United States. It is known for research contribution in the topics: Population & Poison control. The organization has 40206 authors who have published 76587 publications receiving 2566076 citations. The organization is also known as: LSU & Louisiana State University and Agricultural and Mechanical College.

Uniqueness of Diffeomorphism Invariant States on Holonomy–Flux Algebras

Abstract: Loop quantum gravity is an approach to quantum gravity that starts from the Hamiltonian formulation in terms of a connection and its canonical conjugate. Quantization proceeds in the spirit of Dirac: First one defines an algebra of basic kinematical observables and represents it through operators on a suitable Hilbert space. In a second step, one implements the constraints. The main result of the paper concerns the representation theory of the kinematical algebra: We show that there is only one cyclic representation invariant under spatial diffeomorphisms. While this result is particularly important for loop quantum gravity, we are rather general: The precise definition of the abstract *-algebra of the basic kinematical observables we give could be used for any theory in which the configuration variable is a connection with a compact structure group. The variables are constructed from the holonomy map and from the fluxes of the momentum conjugate to the connection. The uniqueness result is relevant for any such theory invariant under spatial diffeomorphisms or being a part of a diffeomorphism invariant theory.

NWChem: Past, present, and future

Abstract: Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the past few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach, and outlook.