Enhancing the Accuracy and Efficiency of Sample-Based Quantum Diagonalization with Phaseless Auxiliary-Field Quantum Monte Carlo
- Don Danilov
- Javier Robledo-Moreno
- et al.
- 2025
- JCTC
Paper
Publications
32 results at JCTC
Toward Quantum-Centric Simulations of Extended Molecules: Sample-Based Quantum Diagonalization Enhanced with Density Matrix Embedding Theory
- Akhil Shajan
- Danil Kaliakin
- et al.
- 2025
- JCTC
PaperQuantum-Centric Computational Study of Methylene Singlet and Triplet States
- Ieva Liepuoniute
- Kirstin D. Doney
- et al.
- 2025
- JCTC
PaperProtein Structure Prediction with High Degrees of Freedom in a Gate-Based Quantum Computer
- Jaya Vasavi Pamidimukkala
- Soham Bopardikar
- et al.
- 2024
- JCTC
PaperpyMSER─An Open-Source Library for Automatic Equilibration Detection in Molecular Simulations
- Felipe L. Oliveira
- Binquan Luan
- et al.
- 2024
- JCTC
PaperNonadiabatic Molecular Dynamics with Fermionic Subspace-Expansion Algorithms on Quantum Computers
- Anthony Gandon
- Alberto Baiardi
- et al.
- 2024
- JCTC
PaperQuantum Algorithm for Imaginary-Time Green’s Functions
- Diksha Dhawan
- Dominika Zgid
- et al.
- 2024
- JCTC
PaperToward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method
- Werner Dobrautz
- Igor O. Sokolov
- et al.
- 2024
- JCTC
PaperA Perspective on Protein Structure Prediction Using Quantum Computers
- Hakan Doga
- Bryan Raubenolt
- et al.
- 2024
- JCTC
PaperHierarchical Clifford Transformations to Reduce Entanglement in Quantum Chemistry Wave Functions
- Ryan V. Mishmash
- Tanvi P. Gujarati
- et al.
- 2023
- JCTC
Paper