Research graph
References from Variance reduction for forces and pressure in variational Monte Carlo. Local targets link to admitted publications; unresolved targets remain external evidence.
Forces in molecules
10.1103/physrev.56.340 · 1939 · External reference
Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules
10.1080/00268976900100941 · 1969 · External reference
First-principles calculation of stress
10.1103/physrevlett.50.697 · 1983 · External reference
Quantum-mechanical theory of stress and force
10.1103/physrevb.32.3780 · 1985 · External reference
Unresolved reference
External reference
Deep-neural-network solution of the electronic Schrödinger equation
10.1038/s41557-020-0544-y · 2020 · External reference
Discovering quantum phase transitions with fermionic neural networks
10.1103/physrevlett.130.036401 · 2023 · External reference
Neural network ansatz for periodic wave functions and the homogeneous electron gas
10.1103/physrevb.107.235139 · 2023 · External reference
Message-passing neural quantum states for the homogeneous electron gas
10.1103/physrevb.110.035108 · 2024 · External reference
Neural-network quantum states for ultra-cold Fermi gases
10.1038/s42005-024-01613-w · 2024 · External reference
Unified variational approach description of ground-state phases of the two-dimensional electron gas
10.1103/physrevlett.133.266504 · 2024 · External reference
Phase diagram and crystal melting of helium-4 in two dimensions
10.1103/v1g7-m9k4 · 2025 · External reference
Neural wave functions for high-pressure atomic hydrogen
10.1103/t72h-tkcx · 2026 · External reference
10.21203/rs.3.rs-9316409/v1
10.21203/rs.3.rs-9316409/v1 · External reference
Towards a transferable fermionic neural wavefunction for molecules
10.1038/s41467-023-44216-9 · 2024 · External reference
Neural pfaffians: Solving many many-electron Schrödinger equations
2024 · External reference
Foundation neural-networks quantum states as a unified ansatz for multiple Hamiltonians
10.1038/s41467-025-62098-x · 2025 · External reference
An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking
10.1038/s41467-026-76604-2 · 2026 · External reference
Unresolved reference
External reference
Energy derivatives in real-space diffusion Monte Carlo
10.1021/acs.jctc.1c00496 · 2022 · External reference
Accurate quantum Monte Carlo forces for machine-learned force fields: Ethanol as a benchmark
10.1021/acs.jctc.4c00498 · 2024 · External reference
Unresolved reference
2008 · External reference
Two aspects of quantum Monte Carlo: Determination of accurate wavefunctions and determination of potential energy surfaces of molecules
10.1002/qua.560360826 · 2009 · External reference
Correlated sampling in quantum Monte Carlo: A route to forces
10.1103/physrevb.61.r16291 · 2000 · External reference
Force and stress calculations with a neural-network wave function for solids
10.1039/d4fd00071d · 2024 · External reference
Zero-variance principle for Monte Carlo algorithms
10.1103/physrevlett.83.4682 · 1999 · External reference
Computing forces with quantum Monte Carlo
10.1063/1.1286598 · 2000 · External reference
Zero-variance zero-bias principle for observables in quantum Monte Carlo: Application to forces
10.1063/1.1621615 · 2003 · External reference
Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density
10.1063/1.2746029 · 2007 · External reference
Accurate, efficient, and simple forces computed with quantum Monte Carlo methods
10.1103/physrevlett.94.036404 · 2005 · External reference
The calculation of excited state properties with quantum Monte Carlo
10.1063/1.455398 · 1988 · External reference
Stable liquid hydrogen at high pressure by a novel ab initio molecular-dynamics calculation
10.1103/physrevlett.100.114501 · 2008 · External reference
Looking elsewhere: Improving variational Monte Carlo gradients by importance sampling
10.1088/2632-2153/ae387f · 2026 · External reference
A light weight regularization for wave function parameter gradients in quantum Monte Carlo
10.1063/5.0004008 · 2020 · External reference
Heavy-tailed random error in quantum Monte Carlo
10.1103/physreve.77.016703 · 2008 · External reference
Alternative sampling for variational quantum Monte Carlo
10.1103/physreve.77.016704 · 2008 · External reference
Tail-regression estimator for heavy-tailed distributions of known tail indices and its application to continuum quantum Monte Carlo data
10.1103/physreve.99.063312 · 2019 · External reference
Monte Carlo simulation of a many-fermion study
10.1103/physrevb.16.3081 · 1977 · External reference
Localization and glassy dynamics of many-body quantum systems
10.1038/srep00243 · 2012 · External reference
Unitary dynamics of strongly interacting Bose gases with the time-dependent variational Monte Carlo method in continuous space
10.1103/physrevx.7.031026 · 2017 · External reference
Quantum many-body dynamics in two dimensions with artificial neural networks
10.1103/physrevlett.125.100503 · 2020 · External reference
Variational classical networks for dynamics in interacting quantum matter
10.1103/physrevb.103.165103 · 2021 · External reference
Unbiasing time-dependent variational Monte Carlo by projected quantum evolution
10.22331/q-2023-10-10-1131 · 2023 · External reference
Real-time quantum dynamics of thermal states with neural thermofields
10.1103/physrevb.109.235120 · 2024 · External reference
Neural projected quantum dynamics: A systematic study
10.22331/q-2025-07-22-1803 · 2025 · External reference
Infinite variance in fermion quantum Monte Carlo calculations
10.1103/physreve.93.033303 · 2016 · External reference
Addressing the infinite variance problem in fermionic Monte Carlo simulations: Retrospective error remediation and the exact bridge link method
10.1103/s4zw-qt8f · 2025 · External reference
Die Berechnung optischer und elektrostatischer Gitterpotentiale
10.1002/andp.19213690304 · 1921 · External reference
Confidence and efficiency scaling in variational quantum Monte Carlo calculations
10.1103/physreve.95.023307 · 2017 · External reference
Wave function optimization in the variational Monte Carlo method
10.1103/physrevb.71.241103 · 2005 · External reference
Energy and variance optimization of many-body wave functions
10.1103/physrevlett.94.150201 · 2005 · External reference
Information and the accuracy attainable in the estimation of statistical parameters
1945 · External reference
Conditional expectation and unbiased sequential estimation
10.1214/aoms/1177730497 · 1947 · External reference
Rao-Blackwellisation of sampling schemes
10.1093/biomet/83.1.81 · 1996 · External reference
A bound for the error in the normal approximation to the distribution of a sum of dependent random variables
1972 · External reference
Stein’s method and Poisson process convergence
10.1017/s0021900200040341 · 1988 · External reference
Stein’s method for diffusion approximations
10.1007/bf01197887 · 1990 · External reference
Measuring sample quality with Stein’s method
2015 · External reference
Measuring sample quality with kernels
2017 · External reference
Control functionals for Monte Carlo integration
10.1111/rssb.12185 · 2017 · External reference
Scalable control variates for Monte Carlo methods via stochastic optimization
10.1007/978-3-030-98319-2 · 2022 · External reference
Unbiased estimators for spatial distribution functions of classical fluids
10.1063/1.1829631 · 2004 · External reference
Improved Monte Carlo estimators for the one-body density
10.1103/physreve.75.035701 · 2007 · External reference
Anisotropic intracule densities and electron correlation in H2: A quantum Monte Carlo study
10.1063/1.3098353 · 2009 · External reference
Computation of pair distribution functions and three-dimensional densities with a reduced variance principle
10.1080/00268976.2013.838316 · 2013 · External reference
Use the force! Reduced variance estimators for densities, radial distribution functions, and local mobilities in molecular simulations
10.1063/5.0029113 · 2020 · External reference
The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water
10.1063/1.4893377 · 2014 · External reference
Stable solid molecular hydrogen above 900 K from a machine-learned potential trained with diffusion quantum Monte Carlo
10.1103/physrevlett.130.076102 · 2023 · External reference
Liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential
10.1103/physreve.111.045307 · 2025 · External reference
Revisiting the broken symmetry phase of solid hydrogen: A neural network variational Monte Carlo study
10.1103/t4bd-347y · 2026 · External reference
Training models using forces computed by stochastic electronic structure methods
10.1088/2516-1075/ad2eb0 · 2024 · External reference
Machine learning diffusion Monte Carlo forces
10.1021/acs.jpca.2c05904 · 2023 · External reference
Self-consistency error correction for accurate machine learning potentials from variational Monte Carlo
10.1021/acs.jctc.5c00715 · 2025 · External reference
Atomic forces by quantum Monte Carlo: Application to phonon dispersion calculations
10.1103/physrevb.103.l121110 · 2021 · External reference
Computation of forces and stresses in solids: Towards accurate structural optimization with auxiliary-field quantum Monte Carlo
10.1103/physrevb.107.195150 · 2023 · External reference
Toward an accurate equation of state and B1-B2 phase boundary for magnesium oxide up to terapascal pressures and electron-volt temperatures
10.1103/physrevb.107.224109 · 2023 · External reference
Removing nodal and support-mismatch pathologies in variational Monte Carlo via blurred sampling
10.1103/jrn5-gv19 · 2026 · External reference
A simple general approach to inference about the tail of a distribution
10.1214/aos/1176343247 · 1975 · External reference
Tail index estimation, Pareto quantile plots regression diagnostics
10.1080/01621459.1996.10476735 · 1996 · External reference
Bootstrap methods for standard errors, confidence intervals, and other measures of statistical accuracy
10.1214/ss/1177013815 · 1986 · External reference
Unresolved reference
2019 · External reference
Exact analysis of an interacting Bose gas. I. The general solution and the ground state
10.1103/physrev.130.1605 · 1963 · External reference
Solving the quantum many-body problem with artificial neural networks
10.1126/science.aag2302 · 2017 · External reference
