Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12188/21651
Title: Schrödinger API - web service for solving multidimensional time-independent Schrödinger equation using Hermite DVR approach
Authors: Koteska, Bojana 
Pejov, LJupcho 
Mishev, Anastas 
Issue Date: 2021
Publisher: Faculty of Computer Science and Engineering, Skopje, North Macedonia
Source: Bojana Koteska, Ljupco Pejov, and Anastas Mishev. “Schr ̈odinger API - web service for solving multidimensional time-independent Schr ̈odinger equation using Hermite DVR approach”. In: Proceedings of the 18th Conference for Informatics and Information Technol- ogy. Online Conference, North Macedonia: Faculty of Computer Science and Engineering, Skopje, Macedonia, 2021, pp. 100–105. ISBN: 978-608-4699-11-8
Conference: 18th Conference for Informatics and Information Technology
Abstract: Numerous phenomena taking place in the nano-world are inherently quantum in nature. Their description and, more important, quantitative treatment, therefore, requires usage of the apparatus of quantum mechanics. The basic paradigm of today’s “mainstream” quantum mechanics is the Schrödinger equation. The effort required to solve the Schrödinger equation is heavily dependent on the dimensionality and complexity of the problem itself. Here, we present the Schrödinger API - RESTful web service that provides methods for solution of one-dimensional, two-dimensional and three-dimensional time independent Schrödinger equation based on the the Gauss-Hermite Discrete Variable Representation (DVR) approach. Simple use is ensured thanks to the REST architectural style that uses HTTP requests to access and use data through the website https://schrodinger.chem-api.finki.ukim.mk. The application of the web service is shown by a computational physics use case. Specialists, but also nonexperts in computational chemistry or physics can use this service to support their research.
URI: http://hdl.handle.net/20.500.12188/21651
ISBN: 978-608-4699-11-8
Appears in Collections:Faculty of Computer Science and Engineering: Conference papers

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