Advancements and prospects of deep learning in biomaterials evolution

S You, Y Fan, Y Chen, X Jiang, W Liu, X Zhou… - Cell Reports Physical …, 2024 - cell.com
In recent decades, significant strides have been made in advancing biomaterials for
biomedical applications. Ideal biomaterials necessitate suitable mechanical properties …

A brief review on quantum computing based drug design

P Das, A Ray, S Bhattacharyya, J Platos… - … : Data Mining and …, 2024 - Wiley Online Library
Abstract Design and development of new drug molecules are essential for the survival of
human society. New drugs are designed for therapeutic purposes to combat new diseases …

Designing microplastic-binding peptides with a variational quantum circuit–based hybrid quantum-classical approach

RC Vendrell, A Ajagekar, MT Bergman, CK Hall… - Science …, 2024 - science.org
De novo peptide design exhibits great potential in materials engineering, particularly for the
use of plastic-binding peptides to help remediate microplastic pollution. There are no known …

Chitosan-ricobendazole complex: Synthesis, characterization and anthelmintic activity

A Blinov, V Orobets, E Kastarnova, A Gvozdenko… - International Journal of …, 2024 - Elsevier
Synthesis, characterization and assessment of therapeutic efficacy of chitosan-
ricobendazole complex were carried out for the first time in this work. Study of physico …

Synergizing quantum techniques with machine learning for advancing drug discovery challenge

Z Liang, Z He, Y Sun, D Herman, Q Jiao, Y Zhu… - Scientific Reports, 2024 - nature.com
Abstract The Quantum Computing for Drug Discovery Challenge, held at the 42nd
International Conference on Computer-Aided Design (ICCAD) in 2023, was a multi-month …

Computer-aided Molecular Design by Aligning Generative Diffusion Models: Perspectives and Challenges

A Ajagekar, B Decardi-Nelson, C Shang… - Computers & Chemical …, 2024 - Elsevier
Deep generative models like diffusion models have generated significant interest in
computer-aided molecular design by enabling the automated generation of novel molecular …

Estimating eigenenergies from quantum dynamics: A unified noise-resilient measurement-driven approach

Y Shen, D Camps, A Szasz, S Darbha… - 2023 IEEE …, 2023 - ieeexplore.ieee.org
Ground state energy estimation in physics and chemistry is one of the most promising
applications of quantum computing. In this paper, we introduce a novel measurement-driven …

Electron transport and quantum phase transitions in cumulene-connected C80H20 fulleryne: DFT and tight-binding studies

M Qasemnazhand, F Khoeini, MA Bazrafshan… - Journal of Physics and …, 2025 - Elsevier
Molecular bridges are opening up exciting new applications in diverse fields, improving the
efficiency of conductive inks, enhancing the performance of devices such as organic light …

Quantum Computing in The Cloud-A Systematic Literature Review

AA Zhahir, SM Mohd, MI M Shuhud, B Idrus… - International journal of …, 2024 - hrcak.srce.hr
Sažetak Quantum computing was proposed to simulate processes that surpass the
capabilities of its counterpart, classical computing. Utilizing the principles of quantum …

Harnessing quantum power: Revolutionizing materials design through advanced quantum computation

Z Guo, R Li, X He, J Guo, S Ju - Materials Genome Engineering …, 2024 - Wiley Online Library
The design of advanced materials for applications in areas of photovoltaics, energy storage,
and structural engineering has made significant strides. However, the rapid proliferation of …