By applying new methods of machine learning to quantum chemistry research, Heidelberg University scientists have made significant strides in computational chemistry. They have achieved a major ...
IN the preface to this volume Prof. Hammett truly says: “It is one of the commonest occurrences in the development of science that the necessary subdivision of the subject leads to a temporary neglect ...
It’s a common enough scenario in many synthesis labs: you know what starting material you have, and you know what product you need but not quite what reaction conditions will get you there. Unless you ...
Abstract: In airborne transient electromagnetic (ATEM) detection, the half-sine wave transmitter is widely used in wide-range stratigraphic region detection by virtue of its low topological complexity ...
A study led by the Center for Astrobiology (CAB), CSIC-INTA, using modeling techniques developed at the University of Oxford, has uncovered an unprecedented richness of small organic molecules in the ...
Abstract: This work addresses the topology optimization of a rotor pole of a hybrid-flux machine with gradient methods. The main challenge is handling many different material types (non-linear ...
CurryBO is a pure python package that allows to conduct Bayesian Optimization in the search for general (i.e. transferable) parameters that work well across multiple related tasks. If you are ...