Quantum Computing and Quantum Machine Learning for Nanomaterials Design and Discovery

Dear Colleagues,

Quantum computing and simulations play a central role in quantum information science (QIS), and several quantum computers have already been used to model physical, electronic, chemical, vibrational, and optical properties of atoms, molecules, and materials. In this context, developing quantum algorithms with an accurate and efficient computation of materials (molecules, 2D materials, nanomaterials, etc.) and devices (quantum sensors, field effect transistors, spintronics, etc.) is one of the most important outstanding problems. In addition, quantum machine learning explores how quantum algorithms can enable machine learning to become faster and more robust, towards the design and discovery of quantum materials and devices. The current Special Issue covers all manuscripts utilizing quantum computing simulations and algorithms, and quantum machine learning to understand, design and discover novel and high-performance nanomaterials, quantum materials, and quantum devices. We welcome the submission of all studies dealing with quantum computing and quantum machine learning in materials design and discovery. In addition, it is understood that quantum computers have limitations with respect to qubit availability and noise, therefore, papers that explore and benchmark how the current quantum algorithms can perform under these limitations or that propose new theoretical methods that may overcome these limitations considering hardware improvements are also welcome.

Dr. Ali Ramazani
Dr. Yuhua Duan
Prof. Dr. Veera Sundararaghavan
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Nanomaterials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

• quantum information
• quantum computing
• quantum machine learning
• quantum algorithms
• qubit
• molecules
• 2D materials
• nanomaterials
• quantum sensors
• field effect transistors
• spintronics