Real Time Wake Computations using Lattice Boltzmann Method on Many Integrated Core Processors

This paper puts forward an efficient Lattice Boltzmann method for use as a wake simulator suitable for real-time environments. The method is limited to low speed incompressible flow but is very efficient and can be used to compute flows “on the fly”. In particular, many-core machines allow for the method to be used with the need of very expensive parallel clusters. Results are shown here for flows around cylinders and simple ship shapes

Real Time Wake Computations using Lattice Boltzmann Method on Many Integrated Core Processors

This paper puts forward an efficient Lattice Boltzmann method for use as a wake simulator suitable for real-time environments. The method is limited to low speed incompressible flow but is very efficient and can be used to compute flows “on the fly”. In particular, many-core machines allow for the method to be used with the need of very expensive parallel clusters. Results are shown here for flows around cylinders and simple ship shapes

Molecular dynamics simulations of complex systems including HIV-1 protease

Advances in supercomputer architectures have resulted in a situation where many scienti�fic codes are used on systems whose performance characteristics di�ffer considerably from the platform they were developed and optimised for. This is particularly apparent in the realm of Grid computing, where new technologies such as MPIg allow researchers to connect geographically disparate resources together into virtual parallel machines. Finding ways to exploit these new resources efficiently is necessary both to extract the maximum bene�fit from them, and to provide the enticing possibility of enabling new science. In this thesis, an existing general purpose molecular dynamics code (LAMMPS) is extended to allow it to perform more efficiently in a geographically distributed Grid environment showing considerable performance gains as a result. The technique of replica exchange molecular dynamics is discussed along with its applicability to the Grid model and its bene�fits with respect to increasing sampling of configurational space. The dynamics of two sub-structures of the HIV-1 protease (known as the flaps) are investigated using replica exchange molecular dynamics in LAMMPS showing considerable movement that would have been difficult to investigate by traditional methods. To complement this, a study was carried out investigating the use of computational tools to calculate binding affinity between HIV-1 protease mutants and the drug lopinavir in comparison with results derived experimentally by other research groups. The results demonstrate some promise for computational methods in helping to determine the most eff�ective course of treatment for patients in the future

Real-time Flexibility Feedback for Closed-loop Aggregator and System Operator Coordination

Aggregators have emerged as crucial tools for the coordination of distributed, controllable loads. However, to be used effectively, aggregators must be able to communicate the available flexibility of the loads they control to the system operator in a manner that is both (i) concise enough to be scalable to aggregators governing hundreds or even thousands of loads and (ii) informative enough to allow the system operator to send control signals to the aggregator that lead to optimization of system-level objectives, such as cost minimization, and do not violate private constraints of the loads, such as satisfying specific load demands. In this paper, we present the design of a real-time flexibility feedback signal based on maximization of entropy. The design provides a concise and informative signal that can be used by the system operator to perform online cost minimization and real-time capacity estimation, while provably satisfying the private constraints of the loads. In addition to deriving analytic properties of the design, we illustrate the effectiveness of the design using a dataset from an adaptive electric vehicle charging network

Real-time Flexibility Feedback for Closed-loop Aggregator and System Operator Coordination

Aggregators have emerged as crucial tools for the coordination of distributed, controllable loads. However, to be used effectively, aggregators must be able to communicate the available flexibility of the loads they control to the system operator in a manner that is both (i) concise enough to be scalable to aggregators governing hundreds or even thousands of loads and (ii) informative enough to allow the system operator to send control signals to the aggregator that lead to optimization of system-level objectives, such as cost minimization, and do not violate private constraints of the loads, such as satisfying specific load demands. In this paper, we present the design of a real-time flexibility feedback signal based on maximization of entropy. The design provides a concise and informative signal that can be used by the system operator to perform online cost minimization and real-time capacity estimation, while provably satisfying the private constraints of the loads. In addition to deriving analytic properties of the design, we illustrate the effectiveness of the design using a dataset from an adaptive electric vehicle charging network.Comment: The Eleventh ACM International Conference on Future Energy Systems (e-Energy'20