Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas

Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas

(2016) Shen Zhang et al.   PHYSICS OF PLASMAS

Permutation blocking path integral Monte Carlo approach to the uniform electron gas at finite temperature

(2015) Tobias Dornheim et al.   JOURNAL OF CHEMICAL PHYSICS

Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application

(2015) N. S. Blunt et al.   JOURNAL OF CHEMICAL PHYSICS

Interaction picture density matrix quantum Monte Carlo

(2015) Fionn D. Malone et al.   JOURNAL OF CHEMICAL PHYSICS

Permutation blocking path integral Monte Carlo: a highly efficient approach to the simulation of strongly degenerate non-ideal fermions

(2015) Tobias Dornheim et al.   NEW JOURNAL OF PHYSICS

Fermionic path-integral Monte Carlo results for the uniform electron gas at finite temperature

(2015) V. S. Filinov et al.   PHYSICAL REVIEW E

Ab InitioThermodynamic Results for the Degenerate Electron Gas at Finite Temperature

(2015) T. Schoof et al.   PHYSICAL REVIEW LETTERS

Development of Path Integral Monte Carlo Simulations with Localized Nodal Surfaces for Second-Row Elements

(2015) Burkhard Militzer et al.   PHYSICAL REVIEW LETTERS

Krylov-Projected Quantum Monte Carlo Method

(2015) N. S. Blunt et al.   PHYSICAL REVIEW LETTERS

AccurateAb InitioCalculation of Ionization Potentials of the First-Row Transition Metals with the Configuration-Interaction Quantum Monte Carlo Technique

(2015) Robert E. Thomas et al.   PHYSICAL REVIEW LETTERS

Towards ab Initio Thermodynamics of the Electron Gas at Strong Degeneracy

(2014) T. Schoof et al.   CONTRIBUTIONS TO PLASMA PHYSICS

Towards numerically accurate many-body perturbation theory: Short-range correlation effects

(2014) Andris Gulans   JOURNAL OF CHEMICAL PHYSICS

Density-matrix quantum Monte Carlo method

(2014) N. S. Blunt et al.   PHYSICAL REVIEW B

PredictiveGWcalculations using plane waves and pseudopotentials

(2014) Jiří Klimeš et al.   PHYSICAL REVIEW B

Accurate Homogeneous Electron Gas Exchange-Correlation Free Energy for Local Spin-Density Calculations

(2014) Valentin V. Karasiev et al.   PHYSICAL REVIEW LETTERS

The effect of quantization on the full configuration interaction quantum Monte Carlo sign problem

(2013) M. H. Kolodrubetz et al.   JOURNAL OF CHEMICAL PHYSICS

Exchange-correlation energy for the three-dimensional homogeneous electron gas at arbitrary temperature

(2013) Ethan W. Brown et al.   PHYSICAL REVIEW B

Uniform electron gas at finite temperatures

(2013) Travis Sjostrom et al.   PHYSICAL REVIEW B

Path-Integral Monte Carlo Simulation of the Warm Dense Homogeneous Electron Gas

(2013) Ethan W. Brown et al.   PHYSICAL REVIEW LETTERS

The sign problem and population dynamics in the full configuration interaction quantum Monte Carlo method

(2012) J. S. Spencer et al.   JOURNAL OF CHEMICAL PHYSICS

Investigation of the full configuration interaction quantum Monte Carlo method using homogeneous electron gas models

(2012) James J. Shepherd et al.   JOURNAL OF CHEMICAL PHYSICS

Taming the First-Row Diatomics: A Full Configuration Interaction Quantum Monte Carlo Study

(2012) Deidre Cleland et al.   Journal of Chemical Theory and Computation

Towards an exact description of electronic wavefunctions in real solids

(2012) George H. Booth et al.   NATURE

Full configuration interaction perspective on the homogeneous electron gas

(2012) James J. Shepherd et al.   PHYSICAL REVIEW B

Convergence of many-body wave-function expansions using a plane-wave basis: From homogeneous electron gas to solid state systems

(2012) James J. Shepherd et al.   PHYSICAL REVIEW B

Semistochastic Projector Monte Carlo Method

(2012) F. R. Petruzielo et al.   PHYSICAL REVIEW LETTERS

The NumPy Array: A Structure for Efficient Numerical Computation

(2011) Stéfan van der Walt et al.   COMPUTING IN SCIENCE & ENGINEERING

Configuration Path Integral Monte Carlo

(2011) T. Schoof et al.   CONTRIBUTIONS TO PLASMA PHYSICS

Breaking the carbon dimer: The challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods

(2011) George H. Booth et al.   JOURNAL OF CHEMICAL PHYSICS

First-principles equation-of-state table of deuterium for inertial confinement fusion applications

(2011) S. X. Hu et al.   PHYSICAL REVIEW B

Communications: Survival of the fittest: Accelerating convergence in full configuration-interaction quantum Monte Carlo

(2010) Deidre Cleland et al.   JOURNAL OF CHEMICAL PHYSICS

Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space

(2009) George H. Booth et al.   JOURNAL OF CHEMICAL PHYSICS

Frontiers of the physics of dense plasmas and planetary interiors: Experiments, theory, and applications

(2009) J. J. Fortney et al.   PHYSICS OF PLASMAS

The Formation of Warm Dense Matter: Experimental Evidence for Electronic Bond Hardening in Gold

(2009) R. Ernstorfer et al.   SCIENCE