Saved in:
| Main Author: | Xu, Junqing |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2505.12230 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
\textit{Ab initio} studies of influence of periodic-direction electric fields on spin lifetime and spin diffusion length and the validation of an \textit{ab initio} matrix-drift-diffusion model
by: Xu, Junqing, et al.
Published: (2025)
by: Xu, Junqing, et al.
Published: (2025)
\textit{Ab initio} Wannier-representation-based calculations of photocurrent in semiconductors and metals
by: Xu, Junqing, et al.
Published: (2024)
by: Xu, Junqing, et al.
Published: (2024)
Neural network backflow for ab-initio solid calculations
by: Liu, An-Jun, et al.
Published: (2026)
by: Liu, An-Jun, et al.
Published: (2026)
Tensor factorization in ab initio many-body calculations: Triaxially-deformed (B) MBPT calculations in large bases
by: Frosini, M., et al.
Published: (2024)
by: Frosini, M., et al.
Published: (2024)
Time evolution of natural orbitals in ab initio molecular dynamics
by: Santamaría, Alejandro Rivero, et al.
Published: (2023)
by: Santamaría, Alejandro Rivero, et al.
Published: (2023)
Fermionic free energies from \textit{ab initio} path integral Monte Carlo simulations of fictitious identical particles
by: Dornheim, Tobias, et al.
Published: (2025)
by: Dornheim, Tobias, et al.
Published: (2025)
Quantum Density Mechanics: Accurate, purely density-based \textit{ab initio} implementation of many-electron quantum mechanics
by: Ellenbogen, James C.
Published: (2024)
by: Ellenbogen, James C.
Published: (2024)
Accurate ab initio modeling of solid solution strengthening in high entropy alloys
by: Moitzi, Franco, et al.
Published: (2022)
by: Moitzi, Franco, et al.
Published: (2022)
Equation of state of solid parahydrogen using ab initio two-body and three-body interaction potentials
by: Ibrahim, Alexander, et al.
Published: (2025)
by: Ibrahim, Alexander, et al.
Published: (2025)
Projected gradient descent algorithm for $\textit{ab initio}$ crystal structure relaxation under a fixed unit cell volume
by: Hu, Yukuan, et al.
Published: (2024)
by: Hu, Yukuan, et al.
Published: (2024)
Fast \textit{ab initio} design of high-entropy magnetic thin films
by: Bista, Dinesh, et al.
Published: (2024)
by: Bista, Dinesh, et al.
Published: (2024)
Cost optimized ab initio tensor network state methods: industrial perspectives
by: Menczer, Andor, et al.
Published: (2024)
by: Menczer, Andor, et al.
Published: (2024)
Complex-valued K-means clustering of interpolative separable density fitting algorithm for large-scale hybrid functional enabled \textit{ab initio} molecular dynamics simulations within plane waves
by: Jiao, Shizhe, et al.
Published: (2022)
by: Jiao, Shizhe, et al.
Published: (2022)
Clifford augmented density matrix renormalization group for \textit{ab initio} quantum chemistry
by: Fu, Lizhong, et al.
Published: (2025)
by: Fu, Lizhong, et al.
Published: (2025)
Chiral three-nucleon forces for the new local position-space two-nucleon potential in $\textit{ab initio}$ many-body calculations
by: Hu, Rongzhe, et al.
Published: (2026)
by: Hu, Rongzhe, et al.
Published: (2026)
Facilitating {\it ab initio} configurational sampling of multicomponent solids using an on-lattice neural network model and active learning
by: Kasamatsu, Shusuke, et al.
Published: (2020)
by: Kasamatsu, Shusuke, et al.
Published: (2020)
Semiempirical $\textit{ab initio}$ modeling of bound states of deep defects in semiconductor quantum technologies
by: Chen, YunHeng, et al.
Published: (2023)
by: Chen, YunHeng, et al.
Published: (2023)
Neural network backflow for ab-initio quantum chemistry
by: Liu, An-Jun, et al.
Published: (2024)
by: Liu, An-Jun, et al.
Published: (2024)
TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
by: Nakano, Kousuke, et al.
Published: (2023)
by: Nakano, Kousuke, et al.
Published: (2023)
Lattice vacancy migration barriers in Fe-Ni alloys, and why Ni atoms diffuse slowly: An ab initio study
by: Fisher, Adam M., et al.
Published: (2025)
by: Fisher, Adam M., et al.
Published: (2025)
Modeling the time-resolved Coulomb explosion imaging of halomethane photodissociation with \textit{ab initio} potential energy curves
by: Ding, Yijue
Published: (2025)
by: Ding, Yijue
Published: (2025)
On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature
by: Begušić, Tomislav, et al.
Published: (2020)
by: Begušić, Tomislav, et al.
Published: (2020)
From many-body ab initio to effective excitonic models: a versatile mapping approach including environmental embedding effects
by: Rodríguez-Mayorga, Mauricio, et al.
Published: (2024)
by: Rodríguez-Mayorga, Mauricio, et al.
Published: (2024)
Sulfur in diamond and its effect on the creation of nitrogen-vacancy defect from \textit{ab initio} simulations
by: Cherati, Nima Ghafari, et al.
Published: (2024)
by: Cherati, Nima Ghafari, et al.
Published: (2024)
High-pressure melting and elastic behavior of vanadium and niobium based on ab initio and machine learning molecular dynamics
by: Wang, Hao, et al.
Published: (2025)
by: Wang, Hao, et al.
Published: (2025)
GPU acceleration of ab initio simulations of large-scale identical particles based on path integral molecular dynamics
by: Xiong, Yunuo
Published: (2024)
by: Xiong, Yunuo
Published: (2024)
Automated atomistic simulations of dissociated dislocations with ab initio accuracy
by: Mismetti, Laura, et al.
Published: (2023)
by: Mismetti, Laura, et al.
Published: (2023)
Mixed-precision ab initio tensor network state methods adapted for NVIDIA Blackwell technology via emulated FP64 arithmetic
by: Brower, Cole, et al.
Published: (2025)
by: Brower, Cole, et al.
Published: (2025)
Bayesian perspectives for quantum states and application to ab initio quantum chemistry
by: Rath, Yannic, et al.
Published: (2025)
by: Rath, Yannic, et al.
Published: (2025)
Path-integral Monte Carlo simulations of solid parahydrogen using two-body, three-body, and four-body ab initio interaction potential energy surfaces
by: Ibrahim, Alexander, et al.
Published: (2025)
by: Ibrahim, Alexander, et al.
Published: (2025)
Efficient optimization of neural network backflow for ab-initio quantum chemistry
by: Liu, An-Jun, et al.
Published: (2025)
by: Liu, An-Jun, et al.
Published: (2025)
Performance of wave function and Green's functions based methods for non equilibrium many-body dynamics
by: Reeves, Cian C., et al.
Published: (2024)
by: Reeves, Cian C., et al.
Published: (2024)
Fast Evaluation of Unbiased Atomic Forces in ab initio Variational Monte Carlo via the Lagrangian Technique
by: Nakano, Kousuke, et al.
Published: (2025)
by: Nakano, Kousuke, et al.
Published: (2025)
General ab initio framework for chiral phonons induced by electronic order
by: Zhang, Shuai, et al.
Published: (2025)
by: Zhang, Shuai, et al.
Published: (2025)
Understanding the wetting of transition metal dichalcogenides from an ab initio perspective
by: Li, Siheng, et al.
Published: (2024)
by: Li, Siheng, et al.
Published: (2024)
Efficient calculation of unbiased atomic forces in ab initio Variational Monte Carlo
by: Nakano, Kousuke, et al.
Published: (2023)
by: Nakano, Kousuke, et al.
Published: (2023)
Accelerated free energy estimation in ab initio path integral Monte Carlo simulations
by: Svensson, Pontus, et al.
Published: (2025)
by: Svensson, Pontus, et al.
Published: (2025)
Prediction of Nuclear Clock Transitions Frequency Difference between $^{229}$Th$^{3+}$ and $^{229}$Th$^{4+}$ via \textit{ab-initio} Self-Consistent Field Theory
by: Si, Ran, et al.
Published: (2025)
by: Si, Ran, et al.
Published: (2025)
Finite-temperature, anharmonicity, and Duschinsky effects on the two-dimensional electronic spectra from ab initio thermo-field Gaussian wavepacket dynamics
by: Begušić, Tomislav, et al.
Published: (2021)
by: Begušić, Tomislav, et al.
Published: (2021)
Spin relaxation in graphite due to spin-orbital-phonon interaction from first-principles density-matrix approach
by: Xu, Junqing
Published: (2024)
by: Xu, Junqing
Published: (2024)
Similar Items
-
\textit{Ab initio} studies of influence of periodic-direction electric fields on spin lifetime and spin diffusion length and the validation of an \textit{ab initio} matrix-drift-diffusion model
by: Xu, Junqing, et al.
Published: (2025) -
\textit{Ab initio} Wannier-representation-based calculations of photocurrent in semiconductors and metals
by: Xu, Junqing, et al.
Published: (2024) -
Neural network backflow for ab-initio solid calculations
by: Liu, An-Jun, et al.
Published: (2026) -
Tensor factorization in ab initio many-body calculations: Triaxially-deformed (B) MBPT calculations in large bases
by: Frosini, M., et al.
Published: (2024) -
Time evolution of natural orbitals in ab initio molecular dynamics
by: Santamaría, Alejandro Rivero, et al.
Published: (2023)