6 papers
Pauli Correlation Encoding for mRNA Secondary Structure Prediction: Problem-Aware Decoding for Dense-Constraint QUBOs
Triet Friedhoff, Mihir Metkar, Wade Davis +2
Pauli Correlation Encoding (PCE) compresses binary variables onto qubits by mapping them to commuting Pauli correlators, but its continuous expectation values mu…
Molecular Excited States using Quantum Subspace Methods: Accuracy, Resource Reduction, and Error-Mitigated Hardware Implementation of q-sc-EOM
Srivathsan Poyyapakkam Sundar, Prince Frederick Kwao, Alexey Galda +1
Problems in quantum chemical simulations, especially achieving accurate excited-state potential energy surfaces, are among the primary applications to achieve quantum utility. On n…
Sample-based Quantum Diagonalization Methods for Modeling the Photochemistry of Diazirine and Diazo Compounds
Saurabh Shivpuje, Tanvi P. Gujarati, Richard Van +6
Diazirines and diazo compounds are widely employed as photoreactive precursors for generating carbenes, key intermediates in chemical biology and materials science. However, comput…
Co-optimization of codon usage and mRNA secondary structure using quantum computing
Dimitris Alevras, Mihir Metkar, Triet Friedhoff +5
Co-optimizing mRNA sequences for both codon optimality and secondary structure is crucial for producing stable and efficacious mRNA therapeutics. Codon optimization, which adjusts…
Towards secondary structure prediction of longer mRNA sequences using a quantum-centric optimization scheme
Vaibhaw Kumar, Dimitris Alevras, Mihir Metkar +9
Accurate prediction of mRNA secondary structure is critical for understanding gene expression, translation efficiency, and advancing mRNA-based therapeutics. However, the combinato…
Quantum machine learning framework for longitudinal biomedical studies
Maria Demidik, Filippo Utro, Alexey Galda +3
Longitudinal biomedical studies play a vital role in tracking disease progression, treatment response, and the emergence of resistance mechanisms, particularly in complex disorders…