activity
20242026
most citedQuantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries

44 citations · 46 across the 7 of their papers we have counts for

collaborators

8 papers

quant-ph2026

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…

quant-ph2026

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…

physics.chem-ph2025

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…

quant-ph2025

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…

quant-ph2025

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…

q-bio.QM2025

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…

quant-ph2024★ 44 cited

Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries

Anthony M. Smaldone, Yu Shee, Gregory W. Kyro +8

The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review specifically explores t…

quant-ph2024★ 2 cited

mRNA secondary structure prediction using utility-scale quantum computers

Dimitris Alevras, Mihir Metkar, Takahiro Yamamoto +7

Recent advancements in quantum computing have opened new avenues for tackling long-standing complex combinatorial optimization problems that are intractable for classical computers…