Cover Image

Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Lopez, Annette, Melton, Cody A., Ahn, Jeonghwan, Rubenstein, Brenda M., Krogel, Jaron T.
Format:	Preprint
Published:	2024
Subjects:	Strongly Correlated Electrons Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Assessing Orbital Optimization in Variational and Diffusion Monte Carlo
by: Melton, Cody A., et al.
Published: (2026)

Gaussian Processes for Finite Size Extrapolation of Many-Body Simulations
by: Borda, Edgar Josué Landinez, et al.
Published: (2021)

Rapidly convergent quantum Monte Carlo using a Chebyshev projector
by: Zhao, Zijun, et al.
Published: (2024)

Beyond CCSD(T) accuracy at lower scaling with auxiliary field quantum Monte Carlo
by: Mahajan, Ankit, et al.
Published: (2024)

NNQS-AFQMC: Neural network quantum states enhanced fermionic quantum Monte Carlo
by: Xiao, Zhi-Yu, et al.
Published: (2025)

Auxiliary-field quantum Monte Carlo method with seniority-zero trial wave function
by: Yoshida, Yuichiro, et al.
Published: (2025)

Nuclear gradients from auxiliary-field quantum Monte Carlo and their application in geometry optimization and transition state search
by: Kurian, Jo S., et al.
Published: (2026)

A scalable route to first-order response properties with correlated sampling phaseless auxiliary-field quantum Monte Carlo
by: Otis, Leon, et al.
Published: (2025)

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

Deep learning quantum Monte Carlo for solids
by: Qian, Yubing, et al.
Published: (2024)

Efficient Auxiliary-Field Quantum Monte Carlo using Isometric Tensor Hypercontraction
by: Luo, Maxine, et al.
Published: (2026)

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

Contextual Subspace Auxiliary-Field Quantum Monte Carlo: Improved bias with reduced quantum resources
by: Kiser, Matthew, et al.
Published: (2024)

Topological Transitions in Orbital-Symmetry-Controlled Chemical Reactions
by: Xie, Ziren, et al.
Published: (2025)

Assessing the impact of nodal surface optimization in fixed-node diffusion Monte Carlo on non-covalent interactions
by: Nakano, Kousuke, et al.
Published: (2026)

Ab Initio Auxiliary-Field Quantum Monte Carlo in the Thermodynamic Limit
by: Zhang, Jinghong, et al.
Published: (2026)

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

Polynomially efficient quantum enabled variational Monte Carlo for training neural-network quantum states for physico-chemical applications
by: Sajjan, Manas, et al.
Published: (2024)

Local Exchange-Correlation Potentials by Density Inversion in Solids
by: Ravindran, Visagan, et al.
Published: (2024)

Correlation energy of the spin-polarized electron liquid by quantum Monte Carlo
by: Azadi, Sam, et al.
Published: (2023)

Selecting optimal unrestricted Hartree-Fock trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo: Accuracy and limitations in modeling three iron-sulfur clusters
by: Danilov, Don, et al.
Published: (2026)

Efficient Optimization of Low-Rank Antisymmetric Product of Geminals Wavefunction Using the Direct Givens Rotation Method
by: Kawasaki, Airi, et al.
Published: (2025)

GPU-accelerated Auxiliary-field quantum Monte Carlo with multi-Slater determinant trial states
by: Huang, Yifei, et al.
Published: (2024)

Exchange kernel $f^h_x(q,ω)$ of electron liquid from the variational principle of McLachlan
by: Nazarov, Vladimir U., et al.
Published: (2024)

Combining complex conjugation, time-reversal, and spin symmetry projection of coupled cluster wave functions
by: Song, Ruiheng, et al.
Published: (2024)

Linear combinations of cluster mean-field states applied to spin systems
by: Papastathopoulos-Katsaros, Athanasios, et al.
Published: (2024)

Correlated pair ansatz with a binary tree structure
by: Dutta, Rishab, et al.
Published: (2023)

Hartree-Fock-Bogoliubov theory for number-parity--violating fermionic Hamiltonians
by: Henderson, Thomas M., et al.
Published: (2023)

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

Ghost Embedding Bridging Chemistry and One-Body Theories
by: Mejuto-Zaera, Carlos, et al.
Published: (2026)

X-ray Emission Spectropolarimetry of Strongly Anisotropic Single Crystal Systems using a Rowland Circle Geometry
by: Abramson, Jared E., et al.
Published: (2025)

Quasiparticle and fully self-consistent GW methods: an unbiased analysis using Gaussian orbitals
by: Harsha, Gaurav, et al.
Published: (2024)

Modelling the Kohn-Sham potential for molecular dissociation with orbital-independent functionals: a proof of principle
by: Giarrusso, Sara, et al.
Published: (2024)

Fokker-Planck equation governing the distribution of walkers in AFQMC
by: Li, Alfred, et al.
Published: (2025)

Richardson-Gaudin states of non-zero seniority III: The Perfect-Pairing limit
by: Johnson, Paul A.
Published: (2026)

Static Embedding with Pair Coupled Cluster Doubles Based Methods
by: Chakraborty, Rahul, et al.
Published: (2023)

Revealing the regularities of electron correlation energies associated with valence electrons in atoms in the first three rows of the periodic table
by: Hai, G. -Q., et al.
Published: (2024)

Extended $N$-centered ensemble density functional theory of double electronic excitations
by: Cernatic, Filip, et al.
Published: (2024)

Hybrid tensor network and neural network quantum states for quantum chemistry
by: Wu, Zibo, et al.
Published: (2025)

Correlation Functions From Tensor Network Influence Functionals: The Case of the Spin-Boson Model
by: Nguyen, Haimi, et al.
Published: (2024)