Accuracy of quantum Monte Carlo methods for point defects in solids

Methods for calculating forces within quantum Monte Carlo simulations

(2010) A Badinski et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Fundamental High-Pressure Calibration from All-Electron Quantum Monte Carlo Calculations

(2010) K. P. Esler et al.   PHYSICAL REVIEW LETTERS

Front-end process modeling in silicon

(2009) L. Pelaz et al.   EUROPEAN PHYSICAL JOURNAL B

The annealing of radiation damage in type Ia diamond

(2009) Alan T Collins et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Continuum variational and diffusion quantum Monte Carlo calculations

(2009) R J Needs et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Issues in first-principles calculations for defects in semiconductors and oxides

(2009) Risto M Nieminen   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and theGWApproach for the Silicon Self-Interstitial

(2009) Patrick Rinke et al.   PHYSICAL REVIEW LETTERS

Structural properties and enthalpy of formation of magnesium hydride from quantum Monte Carlo calculations

(2008) M. Pozzo et al.   PHYSICAL REVIEW B

Finite-size errors in continuum quantum Monte Carlo calculations

(2008) N. D. Drummond et al.   PHYSICAL REVIEW B

Finite-Size Correction in Many-Body Electronic Structure Calculations

(2008) Hendra Kwee et al.   PHYSICAL REVIEW LETTERS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS