Abstract A strategy is presented for the machine-learning emulation of electronic structure calculations carried out in electronically grand-canonical ensemble. The approach relies upon a dual-learning scheme, where both system charge and energy are predicted each image. scheme shown to be capable emulating basic electrochemical reactions at range potentials, coupling it with bootstrap-ensemble...

Introduction: With the increasing variety of commercial wireless applications, there is now a requirement to incorporate several transceivers into a single hardware device [1]. To achieve high integration and minimise costs, it is an advantage to design transceivers that can be reconfigured for different frequency bands or share common blocks, rather than implementing the transceivers separatel...

In the search for carriers of the diffuse interstellar bands (DIBs), a nearly ubiquitous, as-of-yet unattributed interstellar absorption spectrum, new theories are being proffered to explain this astronomical phenomenon. One of these is that rarely occurring excited states of anions may be responsible for some of these features. Using state-of-the-art quantum chemical techniques we examine near...