Image de couverture de livre

Rapid Dissipative Ground State Preparation at Chemical Transition States

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Watts, Thomas W., Sarkar, Soumya, Collins, Daniel, Nguyen, Nam, Quezada, Luke, Bremner, Michael J., Elman, Samuel J.
Format:	Preprint
Publié:	2026
Sujets:	Quantum Physics Chemical Physics
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Sparse Quantum State Preparation for Strongly Correlated Systems
par: Feniou, C., et autres
Publié: (2023)

Orbital Energies Are Chemical Potentials in Ground-State Density Functional Theory and Excited-State $Δ$SCF Theory
par: Yang, Weitao, et autres
Publié: (2024)

Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
par: Welling, Eline, et autres
Publié: (2026)

React-OT: Optimal Transport for Generating Transition State in Chemical Reactions
par: Duan, Chenru, et autres
Publié: (2024)

The Photochemistry of Rydberg Excited Cyclobutanone: Photoinduced Processes and Ground State Dynamics
par: Eng, Julien, et autres
Publié: (2024)

Advancing Practical Quantum Embedding Simulations via Operator Commutativity Based State Preparation for Complex Chemical Systems
par: Mondal, Dibyendu, et autres
Publié: (2026)

Beyond the Training Domain: Robust Generative Transition State Models for Unseen Chemistry
par: Darouich, Samir, et autres
Publié: (2026)

Machine-Learned Leftmost Hessian Eigenvectors for Robust Transition State Finding
par: Wu, Guanchen, et autres
Publié: (2026)

Impact and Interplay of Quantum Coherence and Dissipative Dynamics for Isotope Effects in Excited-State Intramolecular Proton Transfer
par: Dé, Brieuc Le, et autres
Publié: (2025)

Deep Learning of ab initio Hessians for Transition State Optimization
par: Yuan, Eric C. -Y., et autres
Publié: (2024)

State Selective Preparation and Nondestructive Detection of Trapped ${\rm O}_2^+$
par: Singh, Ambesh Pratik, et autres
Publié: (2024)

FragmentFlow: Scalable Transition State Generation for Large Molecules
par: Shprints, Ron, et autres
Publié: (2026)

Quantum Computing Beyond Ground State Electronic Structure: A Review of Progress Toward Quantum Chemistry Out of the Ground State
par: Bidart, Alan, et autres
Publié: (2025)

Physically-Motivated Guiding States for Local Hamiltonians
par: Waite, Gabriel, et autres
Publié: (2025)

Excited State Properties from the Bethe--Salpeter Equation: State-to-State Transitions and Spin-Orbit Coupling
par: Himmelsbach, Paula, et autres
Publié: (2024)

Occupancy Extrapolation: Reaching Many Excited Electronic States from Ground State Calculations
par: Fan, Yichen, et autres
Publié: (2026)

Adaptive Transition State Refinement with Learned Equilibrium Flows
par: Darouich, Samir, et autres
Publié: (2025)

TSAgent: An Agentic Workflow for Autonomous Transition State Search
par: Madhavan, Varun, et autres
Publié: (2026)

Beyond Cavity Born-Oppenheimer: On Non-Adiabatic Coupling and Effective Ground State Hamiltonians in Vibro-Polaritonic Chemistry
par: Fischer, Eric W., et autres
Publié: (2023)

Ground and Excited States from Ensemble Variational Principles
par: Ding, Lexin, et autres
Publié: (2024)

Amplitude Encoding of Slater-Type Orbitals via Matrix Product States: Efficient State Preparation and Integral Evaluation on Quantum Hardware
par: Bolos, Sorin
Publié: (2026)

Locating Ab Initio Transition States via Approximate Geodesics on Machine Learned Potential Energy Surfaces
par: Hait, Diptarka, et autres
Publié: (2025)

Semiclassical Spin Exchange via Temperature-Dependent Transition States
par: Mukherjee, Debaarjun, et autres
Publié: (2025)

Quantum Alternating Operator Ansatz for the Preparation and Detection of Long-Lived Singlet States in NMR
par: Hullamballi, Pratham, et autres
Publié: (2024)

ΔSCF Excitation Energies Up a Ladder of Ground-State Density Functionals
par: Pollack, Ethan, et autres
Publié: (2025)

Towards Balanced Description of Ground and Excited States with Transcorrelated F12 Methods
par: Masteran, Conner, et autres
Publié: (2025)

From Random Determinants to the Ground State
par: Zhang, Hao, et autres
Publié: (2025)

Unravelling Chemical Exchanges Through Steady State Free Precession NMR
par: Jayanthi, Sundaresan, et autres
Publié: (2026)

Planted Solutions in Quantum Chemistry: Generating Non-Trivial Hamiltonians with Known Ground States
par: Wang, Linjun, et autres
Publié: (2025)

Rotational and Near-IR Spectra of PbF: Characterization of the Coupled $X_1\,^2Π_{1/2}$ and $X_2\,^2Π_{3/2}$ States
par: Jackson, Sean, et autres
Publié: (2024)

Reliable and Efficient Automated Transition-State Searches with Machine-Learned Interatomic Potentials
par: Marks, Jonah, et autres
Publié: (2026)

Implicitly Restarted Lanczos Enables Chemically-Accurate Shallow Neural Quantum States
par: Liu, Wei, et autres
Publié: (2026)

Toward the "platinum standard" of quantum chemistry on quantum computers: perturbative quadruple corrections in unitary coupled cluster theory
par: Windom, Zachary W., et autres
Publié: (2025)

Fractional Charges, Linear Conditions and Chemical Potentials for Excited States in $ΔSCF$ Theory
par: Yang, Weitao, et autres
Publié: (2024)

Transitions and Thermodynamics on Species Graphs of Chemical Reaction Networks
par: Sugie, Keisuke, et autres
Publié: (2024)

Exploiting Non-Abelian Point-Group Symmetry to Estimate the Exact Ground-State Correlation Energy of Benzene in a Polarized Split-Valence Triple-Zeta Basis Set
par: Greiner, Jonas, et autres
Publié: (2024)

Nudged-Elastic Band Calculations of Polymorph Transitions and Solid-State Reactions in Molecular Crystals
par: Goncharova, Natalia, et autres
Publié: (2024)

Operator Commutativity Screening and Progressive Operator Block Reordering toward Many-body Inspired Quantum State Preparation
par: Mondal, Dibyendu, et autres
Publié: (2025)

Determining Molecular Ground State with Quantum Imaginary Time Evolution using Broken-Symmetry Wave Function
par: Poudel, Pawan Sharma, et autres
Publié: (2025)

Excited States from Restricted Open Shell Plane-Wave DFT
par: Sahre, Michael J., et autres
Publié: (2026)