Background: A relevant problem in drug design is the comparison and recognition of protein binding sites. Binding sites recognition is generally based on geometry often combined w...
The BFGS quasi-Newton method is benchmarked on the noisy BBOB-2009 testbed. A multistart strategy is applied with a maximum number of function evaluations of about 104 times the s...
: Quantum Monte Carlo (QMC) calculations require the generation of random electronic configurations with respect to a desired probability density, usually the square of the magnitu...
Daniel R. Fisher, David R. Kent IV, Michael T. Fel...
This paper presents a new approach to shaping of the frequency response of the sensitivity function. In this approach, a desired frequency response is assumed to be specified at a...
—As more and more real-world optimization problems become increasingly complex, algorithms with more capable optimizations are also increasing in demand. For solving large scale ...