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Updated: Jul 5, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Voice-controlled quantum chemistry
Umberto Raucci1,2, Alessio Valentini1,2, Elisa Pieri1,2
1Department of Chemistry and The PULSE Institute, Stanford University, Stanford, CA, USA.
Abstract:
Over the past decade, artificial intelligence has been propelled forward by advances in machine learning algorithms and computational hardware, opening up myriads of new avenues for scientific research. Nevertheless, virtual assistants and voice control have yet to be widely used in the natural sciences. Here, we present ChemVox, an interactive Amazon Alexa skill that uses speech recognition to perform quantum chemistry calculations. This new application interfaces Alexa with cloud computing and returns the results through a capable device. ChemVox paves the way to making computational chemistry routinely accessible to the wider community.
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