The Quantum Computing for Drug Discovery Challenge, held at the 42nd International Conference on Computer-Aided Design (ICCAD) in 2023, was a multi-month, research-intensive competition. Over 70 teams from more than 65 organizations from 12 different countries registered, focusing on the use of quantum computing for drug discovery. The challenge centered on designing algorithms to accurately estimate the ground state energy of molecules, specifically OH+, using quantum computing techniques. Participants utilized the IBM Qiskit platform within the constraints of the Noisy Intermediate Scale Quantum (NISQ) era, characterized by noise and limited quantum computing resources. The contest emphasized the importance of accurate estimation, efficient use of quantum resources, and the integration of machine learning techniques. This competition highlighted the potential of hybrid classical-quantum frameworks and machine learning in advancing quantum computing for practical applications, particularly in drug discovery.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1038/s41598-024-82576-4 | DOI Listing |
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11682165 | PMC |
Sci Rep
December 2024
Department of Electrical and Electronic Engineering, Bangladesh University of Engineering and Technology, Dhaka, 1205, Bangladesh.
Prediction and discovery of new materials with desired properties are at the forefront of quantum science and technology research. A major bottleneck in this field is the computational resources and time complexity related to finding new materials from ab initio calculations. In this work, an effective and robust deep learning-based model is proposed by incorporating persistent homology with graph neural network which offers an accuracy of and an F1 score of in classifying topological versus non-topological materials, outperforming the other state-of-the-art classifier models.
View Article and Find Full Text PDFNat Commun
December 2024
Institute of Physics, Chinese Academy of Sciences, Beijing, China.
Spin-polarized edge states in two-dimensional materials hold promise for spintronics and quantum computing applications. Constructing stable edge states by tailoring two-dimensional semiconductor materials with bulk-boundary correspondence is a feasible approach. Recently layered NiI is suggested as a two-dimensional type-II multiferroic semiconductor with intrinsic spiral spin ordering and chirality-induced electric polarization.
View Article and Find Full Text PDFNat Commun
December 2024
Institute for Research in Electronics and Applied Physics, University of Maryland, College Park, MD, USA.
Non-Hermitian models describe the physics of ubiquitous open systems with gain and loss. One intriguing aspect of non-Hermitian models is their inherent topology that can produce intriguing boundary phenomena like resilient higher-order topological insulators (HOTIs) and non-Hermitian skin effects (NHSE). Recently, time-multiplexed lattices in synthetic dimensions have emerged as a versatile platform for the investigation of these effects free of geometric restrictions.
View Article and Find Full Text PDFNat Commun
December 2024
School of Materials Science and Engineering, Peking University, Beijing, 100871, China.
Crystal symmetry, which governs the local atomic coordination and bonding environment, is one of the paramount constituents that intrinsically dictate materials' functionalities. However, engineering crystal symmetry is not straightforward due to the isotropically strong covalent/ionic bonds in crystals. Layered two-dimensional materials offer an ideal platform for crystal engineering because of the ease of interlayer symmetry operations.
View Article and Find Full Text PDFNat Commun
December 2024
School of Electrical Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, Republic of Korea.
Quantum computers now encounter the significant challenge of scalability, similar to the issue that classical computing faced previously. Recent results in high-fidelity spin qubits manufactured with a Si CMOS technology, along with demonstrations that cryogenic CMOS-based control/readout electronics can be integrated into the same chip or die, opens up an opportunity to break out the challenges of qubit size, I/O, and integrability. However, the power consumption of cryogenic CMOS-based control/readout electronics cannot support thousands or millions of qubits.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!