Richard J. Norby Environmental Sciences Division Oak Ridge National Laboratory One Bethel Valley Road Bldg. 4500-N, MS-6301 Oak Ridge TN 37831-6301 Phone: (865) 576-5261 rjn@ornl.gov Complete CV ...

Two-dimensional (2D) nanocrystals of CdX (X = S, Se, Te) typically grown by colloidal synthesis are coated with organic ligands. Recent experimental work on ZnSe showed that the organic ligands can be ...

Session 1, Practices A, Building Retrofit/Whole Building II Paper 89 Internal Insulation of Masonry Walls with Wooden Floor Beams in Northern Humid Climate Martin Morelli, Toke R. Nielsen, Gregor A.

Density functional theory simulations with conventional (PBE) and hybrid (HSE06) functionals were performed to investigate the structural and electronic properties of MXene monolayers, Tin+1Cn and ...

Henriette (Yetta) Jager Senior Scientist Environmental Sciences Division Oak Ridge National Laboratory P.O. Box 2008 Oak Ridge TN 37831-6038, USA Phone: (865) 924-0596 (no voice mail messages please) ...

Paper 1 A Calculator Programming Technique for Estimating Thermally Optimum Wall Construction John E. Twenty Lee V. McQueen Paper 2 Proposed Streamlined Residential Heating Energy Budget Analysis by a ...

GEANT4 is a toolkit for simulating the passage of particles through matter. It includes a complete range of functionality including tracking, geometry, physics models and hits. The physics processes ...

MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of the prototypical MXene Ti3C2T2 (T=O, OH, F; terminal ...

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Stochastic electronic structure theories, e.g., Quantum Monte Carlo methods, enable highly accurate total energy calculations which in principle can be used to construct highly accurate potential ...

We describe a method for modeling constant-potential charges in heteroatomic electrodes, keeping pace with the increasing complexity of electrode composition and nanostructure in electrochemical ...

We develop a formalism and present an algorithm for optimization of the trial wave-function used in fixed-node diffusion quantum Monte Carlo (DMC) methods. The formalism is based on the DMC mixed ...