Simulation of Radiation Chemistry by a One-Shot Hybrid Continuum / Monte Carlo Method
Fuente:
arXiv
Saved in:
| Main Authors: | Perkins, Charlie Fynn, Webb, Marcus, Currell, Fred J. |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Scalable Quantum Monte Carlo Method for Polariton Chemistry via Mixed Block Sparsity and Tensor Hypercontraction Method
by: Zhang, Yu
Published: (2025)
by: Zhang, Yu
Published: (2025)
Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
by: Welling, Eline, et al.
Published: (2026)
by: Welling, Eline, et al.
Published: (2026)
Method-independent cusps for atomic orbitals in quantum Monte Carlo
by: Quady, Trine Kay, et al.
Published: (2024)
by: Quady, Trine Kay, et al.
Published: (2024)
Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules
by: Sukurma, Z., et al.
Published: (2023)
by: Sukurma, Z., et al.
Published: (2023)
Reducing the time-step errors in diffusion Monte Carlo
by: Anderson, Tyler A., et al.
Published: (2023)
by: Anderson, Tyler A., et al.
Published: (2023)
Load-Balanced Diffusion Monte Carlo Method with Lattice Regularization
by: Nakano, Kousuke, et al.
Published: (2025)
by: Nakano, Kousuke, et al.
Published: (2025)
CHEMSMART: Chemistry Simulation and Modeling Automation Toolkit for High-Efficiency Computational Chemistry Workflows
by: Zhang, Xinglong, et al.
Published: (2025)
by: Zhang, Xinglong, et al.
Published: (2025)
Foundation Models for Atomistic Simulation of Chemistry and Materials
by: Yuan, Eric C. -Y., et al.
Published: (2025)
by: Yuan, Eric C. -Y., et al.
Published: (2025)
One-Shot Simulation of Static Disorder in Quantum Dynamics with Equilibrium Initial State via Matrix Product State Sampling
by: Zhang, Zhao, et al.
Published: (2025)
by: Zhang, Zhao, et al.
Published: (2025)
Excited states in auxiliary field quantum Monte Carlo
by: Mahajan, Ankit, et al.
Published: (2025)
by: Mahajan, Ankit, et al.
Published: (2025)
Polaritonic Chemistry using the Density Matrix Renormalization Group Method
by: Matoušek, Mikuláš, et al.
Published: (2024)
by: Matoušek, Mikuláš, et al.
Published: (2024)
Multi-Spectroscopic Method to Quantify Rapid Decomposition of an Organophosphate Simulant Using Reactive Materials as a Function of Metal Powder Chemistry and Temperature
by: Borah, Preetom, et al.
Published: (2025)
by: Borah, Preetom, et al.
Published: (2025)
A Monte Carlo approach to bound Trotter error
by: Blunt, Nick S., et al.
Published: (2025)
by: Blunt, Nick S., et al.
Published: (2025)
QMeCha: quantum Monte Carlo package for fermions in embedding environments
by: Barborini, Matteo, et al.
Published: (2025)
by: Barborini, Matteo, et al.
Published: (2025)
Reducing the Cost of Energy Differences in Variational Monte Carlo with Spotlight Sampling
by: Bumann, Sonja, et al.
Published: (2025)
by: Bumann, Sonja, et al.
Published: (2025)
Forte: A Suite of Advanced Multireference Quantum Chemistry Methods
by: Evangelista, Francesco A., et al.
Published: (2024)
by: Evangelista, Francesco A., et al.
Published: (2024)
Electron-pair densities with time-dependent quantum Monte-Carlo
by: Christov, Ivan P.
Published: (2013)
by: Christov, Ivan P.
Published: (2013)
QMCkl: A Kernel Library for Quantum Monte Carlo Applications
by: Slootman, Emiel, et al.
Published: (2025)
by: Slootman, Emiel, et al.
Published: (2025)
Auxiliary Field Quantum Monte Carlo for Electron-Photon Correlation
by: Weight, Braden M., et al.
Published: (2025)
by: Weight, Braden M., et al.
Published: (2025)
Evaluating a quantum-classical quantum Monte Carlo algorithm with Matchgate shadows
by: Huang, Benchen, et al.
Published: (2024)
by: Huang, Benchen, et al.
Published: (2024)
Quantum Simulations of Chemistry in First Quantization with any Basis Set
by: Georges, Timothy N., et al.
Published: (2024)
by: Georges, Timothy N., et al.
Published: (2024)
Systematic improvement of trial states in phaseless auxiliary-field quantum Monte Carlo
by: Kjønstad, Eirik F., et al.
Published: (2025)
by: Kjønstad, Eirik F., et al.
Published: (2025)
SpinAdaptedSecondQuantization.jl 1.0 -- A Simple and Pedagogical Approach to Symbolic Quantum Chemistry
by: Lexander, Marcus T., et al.
Published: (2025)
by: Lexander, Marcus T., et al.
Published: (2025)
Phaseless auxiliary-field quantum Monte Carlo method for cavity-QED matter systems
by: Weber, Lukas, et al.
Published: (2024)
by: Weber, Lukas, et al.
Published: (2024)
Local Pseudopotential Unlocks the True Potential of Neural Network-based Quantum Monte Carlo
by: Fu, Weizhong, et al.
Published: (2025)
by: Fu, Weizhong, et al.
Published: (2025)
Partitioning the electronic wave function using deep variational Monte Carlo
by: Mezera, Matěj, et al.
Published: (2025)
by: Mezera, Matěj, et al.
Published: (2025)
Deep quantum Monte Carlo approach for polaritonic chemistry
by: Tang, Yifan, et al.
Published: (2025)
by: Tang, Yifan, et al.
Published: (2025)
Hybrid Quantum Algorithms for Computational Chemistry: Application to the Pyridine-Li ion Complex
by: Ghasemi, Fatemeh, et al.
Published: (2026)
by: Ghasemi, Fatemeh, et al.
Published: (2026)
Size Extensive Auxiliary-Field Quantum Monte Carlo with Perturbative Coupled Cluster Trial Wavefunction
by: Zhang, Yichi, et al.
Published: (2026)
by: Zhang, Yichi, et al.
Published: (2026)
Exact tunneling splittings from path-integral hybrid Monte Carlo with enveloping bridging potentials
by: Wang, Yu-Chen, et al.
Published: (2026)
by: Wang, Yu-Chen, et al.
Published: (2026)
Self-Refinement of Auxiliary-Field Quantum Monte Carlo via Non-Orthogonal Configuration Interaction
by: Sukurma, Zoran, et al.
Published: (2025)
by: Sukurma, Zoran, et al.
Published: (2025)
Accurate quantum Monte Carlo forces for machine-learned force fields: Ethanol as a benchmark
by: Slootman, Emiel, et al.
Published: (2024)
by: Slootman, Emiel, et al.
Published: (2024)
Enhancing PySCF-based Quantum Chemistry Simulations with Modern Hardware, Algorithms, and Python Tools
by: Pu, Zhichen, et al.
Published: (2025)
by: Pu, Zhichen, et al.
Published: (2025)
Optimizing excited states in quantum Monte Carlo: A reassessment of double excitations
by: Shepard, Stuart, et al.
Published: (2025)
by: Shepard, Stuart, et al.
Published: (2025)
Auxiliary-field quantum Monte Carlo method with quantum selected configuration interaction
by: Yoshida, Yuichiro, et al.
Published: (2025)
by: Yoshida, Yuichiro, et al.
Published: (2025)
Rapidly convergent quantum Monte Carlo using a Chebyshev projector
by: Zhao, Zijun, et al.
Published: (2024)
by: Zhao, Zijun, et al.
Published: (2024)
Automated Quantum Chemistry Code Generation with the p$^\dagger$q Package
by: Liebenthal, Marcus D., et al.
Published: (2025)
by: Liebenthal, Marcus D., et al.
Published: (2025)
Reweighting scheme for the calculation of grand-canonical expectation values in quantum Monte Carlo simulations with a fermion sign problem
by: Hamann, Paul, et al.
Published: (2025)
by: Hamann, Paul, et al.
Published: (2025)
Quantum Chemistry Simulation of Dibenzothiophene for Asphalt Aging Analysis
by: Tailor, Om
Published: (2025)
by: Tailor, Om
Published: (2025)
The Effect of a Knot on the Thermal Stability of Protein MJ0366: Insights from Molecular Dynamics and Monte Carlo Simulations
by: Begun, A. M., et al.
Published: (2024)
by: Begun, A. M., et al.
Published: (2024)
Similar Items
-
Scalable Quantum Monte Carlo Method for Polariton Chemistry via Mixed Block Sparsity and Tensor Hypercontraction Method
by: Zhang, Yu
Published: (2025) -
Shallow Electronic State Preparation for Quantum Chemistry with Quantum Monte Carlo Pre-Selection
by: Welling, Eline, et al.
Published: (2026) -
Method-independent cusps for atomic orbitals in quantum Monte Carlo
by: Quady, Trine Kay, et al.
Published: (2024) -
Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules
by: Sukurma, Z., et al.
Published: (2023) -
Reducing the time-step errors in diffusion Monte Carlo
by: Anderson, Tyler A., et al.
Published: (2023)