In this paper we analyze the behavior of quantum random walks. In particular we present several new results for the absorption probabilities in systems with both one and two absor...
Andris Ambainis, Eric Bach, Ashwin Nayak, Ashvin V...
Applications augmented with adaptive capabilities are becoming common in parallel computing environments which share resources such as main memory, network, or disk I/O. For large...
Nurzhan Ustemirov, Masha Sosonkina, Mark S. Gordon...
: The evaluation of the electron density based similarity function scales quadratically with respect to the size of the molecules for simplified, atomic shell densities. Due to the...
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. ...
Quantum chemistry applications such as the General Atomic and Molecular Electronic Structure System (GAMESS) that can execute on a complex peta-scale parallel computing environment...