Opportunities and challenges of quantum computing for engineering optimization
Quantum computing as the emerging paradigm for scientific computing has attracted
significant research attention in the past decade. Quantum algorithms to solve the problems …
significant research attention in the past decade. Quantum algorithms to solve the problems …
Recent advances in quantum computing for drug discovery and development
PH Wang, JH Chen, YY Yang, C Lee… - IEEE Nanotechnology …, 2023 - ieeexplore.ieee.org
Drug discovery and development is a time-consuming and cost-intensive process. Computer-
aided drug design can speed up the timeline and reduce costs by decreasing the number of …
aided drug design can speed up the timeline and reduce costs by decreasing the number of …
Parameter setting in quantum approximate optimization of weighted problems
Abstract Quantum Approximate Optimization Algorithm (QAOA) is a leading candidate
algorithm for solving combinatorial optimization problems on quantum computers. However …
algorithm for solving combinatorial optimization problems on quantum computers. However …
Constrained optimization via quantum zeno dynamics
Constrained optimization problems are ubiquitous in science and industry. Quantum
algorithms have shown promise in solving optimization problems, yet none of the current …
algorithms have shown promise in solving optimization problems, yet none of the current …
Alignment between initial state and mixer improves QAOA performance for constrained optimization
Quantum alternating operator ansatz (QAOA) has a strong connection to the adiabatic
algorithm, which it can approximate with sufficient depth. However, it is unclear to what …
algorithm, which it can approximate with sufficient depth. However, it is unclear to what …
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 …
use of plastic-binding peptides to help remediate microplastic pollution. There are no known …
Resource analysis of quantum algorithms for coarse-grained protein folding models
Protein folding processes are a vital aspect of molecular biology that is hard to simulate with
conventional computers. Quantum algorithms have been proven superior for certain …
conventional computers. Quantum algorithms have been proven superior for certain …
Sampling a Rare Protein Transition Using Quantum Annealing
Simulating spontaneous structural rearrangements in macromolecules with classical
molecular dynamics is an outstanding challenge. Conventional supercomputers can access …
molecular dynamics is an outstanding challenge. Conventional supercomputers can access …
Quantum synergy in peptide folding: A comparative study of CVaR-variational quantum eigensolver and molecular dynamics simulation
A Uttarkar, V Niranjan - International Journal of Biological Macromolecules, 2024 - Elsevier
One of the technological fields that is developing the fastest is quantum computing in
biology. One of the main problems is protein folding, which calls for precise, effective …
biology. One of the main problems is protein folding, which calls for precise, effective …
A comparative insight into peptide folding with quantum CVaR-VQE algorithm, MD simulations and structural alphabet analysis
A Uttarkar, V Niranjan - Quantum Information Processing, 2024 - Springer
Quantum computing in biology is one of the most rapidly evolving fields of technology.
Protein folding is one of the key challenges which requires accurate and efficient algorithms …
Protein folding is one of the key challenges which requires accurate and efficient algorithms …