Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
Abstract: Modeling the interactions of biological molecules, or docking, is critical to both understanding basic life processes and to designing new drugs. Here we describe the GPU...
Abstract. Hoare logic is widely used for software specification and verification. Frequently we need to prove the total correctness of a program: to prove that the program not only...
Abstract. This paper presents a framework that integrates three aspects of agency: planning, for proactive behaviour, negotiation, for social behaviour and resource achievement, an...
Antonis C. Kakas, Paolo Torroni, Neophytos Demetri...
Abstract. Conventional semantics for shared-variable concurrency suffers from the “grain of time” problem, i.e., the necessity of specifying a default level of atomicity. We pr...