Cover Image

Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Khan, Abid, Vaish, Prateek, Pang, Yaoqi, Kowshik, Nikhil, Chen, Michael S., Batton, Clay H., Rotskoff, Grant M., Mullinax, J. Wayne, Clark, Bryan K., Rubenstein, Brenda M., Tubman, Norm M.
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Statistical Mechanics Quantum Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Reducing the Cost of Unitary Coupled Cluster via Active Space Partitioning
by: Vaish, Prateek, et al.
Published: (2026)

Quantum Computing Beyond Ground State Electronic Structure: A Review of Progress Toward Quantum Chemistry Out of the Ground State
by: Bidart, Alan, et al.
Published: (2025)

The cost of quantum algorithms for biochemistry: A case study in metaphosphate hydrolysis
by: LaRose, Ryan, et al.
Published: (2026)

Beyond MP2 initialization for unitary coupled cluster quantum circuits
by: Hirsbrunner, Mark R., et al.
Published: (2023)

Compressing Hamiltonians with ab initio downfolding for simulating strongly-correlated materials on quantum computers
by: Alvertis, Antonios M., et al.
Published: (2024)

Classical Pre-optimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications
by: Mullinax, J. Wayne, et al.
Published: (2024)

Microscopic origin of tunable assembly forces in chiral active environments
by: Batton, Clay H., et al.
Published: (2023)

Non-Clifford diagonalization for measurement shot reduction in quantum expectation value estimation
by: Sawaya, Nicolas P. D., et al.
Published: (2024)

Benchmarking quantum trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo
by: Rofougaran, Rod, et al.
Published: (2026)

Classical Benchmarks for Variational Quantum Eigensolver Simulations of the Hubbard Model
by: Alvertis, Antonios M., et al.
Published: (2024)

A circuit-generated quantum subspace algorithm for the variational quantum eigensolver
by: Hirsbrunner, Mark R., et al.
Published: (2024)

Efficient Classical Processing of Constant-Depth Time Evolution Circuits in Control Hardware
by: Francis, Akhil, et al.
Published: (2025)

Scaling Transferable Coarse-graining with Mean Force Matching
by: Park, Abigail, et al.
Published: (2026)

Committor guided estimates of molecular transition rates
by: Mitchell, Andrew R., et al.
Published: (2024)

Surrogate optimization of variational quantum circuits
by: Gustafson, Erik J., et al.
Published: (2024)

Scaling field-theoretic simulation for multi-component mixtures with neural operators
by: Pert, Emmit K., et al.
Published: (2024)

Atomistic Descriptor Optimization Using Complementary Euclidean and Geodesic Distance Information
by: Iyer, Gopal R., et al.
Published: (2024)

Overlapped groupings for quantum energy estimation: Maximal variance reduction and deterministic algorithms for reducing variance
by: Rowland, Jeremiah, et al.
Published: (2026)

Bayesian Optimization Priors for Efficient Variational Quantum Algorithms
by: Sorourifar, Farshud, et al.
Published: (2024)

Discrete-Time Quantum Random Walk for Epidemiological Modeling
by: Manna, Sayan, et al.
Published: (2025)

Quantum Approximate and Quantum Walk Optimization Approaches to Set Balancing
by: Kowshik, Nikhil, et al.
Published: (2025)

Constant-depth preparation of matrix product states with adaptive quantum circuits
by: Smith, Kevin C., et al.
Published: (2024)

Simple Diagonal State Designs with Reconfigurable Real-Time Circuits
by: Shen, Yizhi, et al.
Published: (2024)

Towards Efficient Quantum Computation of Molecular Ground State Energies using Bayesian Optimization with Priors over Surface Topology
by: Sorourifar, Farshud, et al.
Published: (2024)

Modeling Stochastic Chemical Kinetics on Quantum Computers
by: Kabengele, Tilas, et al.
Published: (2024)

Aligning Transformers with Continuous Feedback via Energy Rank Alignment
by: Chennakesavalu, Shriram, et al.
Published: (2024)

Estimating Eigenenergies from Quantum Dynamics: A Unified Noise-Resilient Measurement-Driven Approach
by: Shen, Yizhi, et al.
Published: (2023)

Disentangling the Physics of the Attractive Hubbard Model via the Accessible and Symmetry-Resolved Entanglement Entropies
by: Shen, Tong, et al.
Published: (2023)

Accurate and efficient structure elucidation from routine one-dimensional NMR spectra using multitask machine learning
by: Hu, Frank, et al.
Published: (2024)

Surrogate Constructed Scalable Circuits ADAPT-VQE in the Schwinger model
by: Gustafson, Erik, et al.
Published: (2024)

Force-free identification of minimum-energy pathways and transition states for stochastic electronic structure theories
by: Iyer, Gopal R., et al.
Published: (2024)

Disorder-Induced Topological Phases in a Two-Dimensional Chern Insulator with Strong Magnetic Disorder
by: Vaish, Devesh, et al.
Published: (2026)

Efficient Floating-Point Arithmetic on Fault-Tolerant Quantum Computers
by: Serrallés, José E. Cruz, et al.
Published: (2025)

Steady-State Statistics of Classical Nonlinear Dynamical Systems from Noisy Intermediate-Scale Quantum Devices
by: Lokare, Yash M., et al.
Published: (2024)

Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo
by: Lopez, Annette, et al.
Published: (2024)

Universal features of high-energy scattering of Laguerre-Gaussian states
by: Yang, Yaoqi, et al.
Published: (2026)

A many-body characterization of the fundamental gap in monolayer CrI$_3$
by: Staros, Daniel, et al.
Published: (2025)

Classical Post-processing for Unitary Block Optimization Scheme to Reduce the Effect of Noise on Optimization of Variational Quantum Eigensolvers
by: Ding, Xiaochuan, et al.
Published: (2024)

Quantum walks under superposition of causal order
by: Chawla, Prateek, et al.
Published: (2022)

Efficient optimization of neural network backflow for ab-initio quantum chemistry
by: Liu, An-Jun, et al.
Published: (2025)