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A Regional-Scale GIS-Based Modeling System for Evaluating the Potential Costs and Supplies of Biomass from Biomass Crops
From Proceedings, BIOENERGY '96--The Seventh National Bioenergy Conference. Meeting held September 15-20, 1996, Nashville, Tennessee, published by the Southeastern Regional Biomass Energy Program. A ...
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Oxygen vacancy formation energies in PbTiO3/SrTiO3 superlattice
The defect stability in a prototypical perovskite oxide superlattice consisting of SrTiO3 and PbTiO3 (STO/PTO) is determined by using first principles density functional theory calculations.
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Oak Ridge National Laboratory
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 ...
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Oak Ridge National Laboratory
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) ...
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Self-healing diffusion quantum Monte Carlo algorithms: direct reduction of the fermion sign error in electronic structure calculations
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 ...
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Theoretical predictions of freestanding honeycomb sheets of cadmium chalcogenides
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 ...
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Hybrid density functional study of structural and electronic properties of functionalized Ti(n+1)X(n) (X=C,N) monolayers
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 ...
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of Whole Buildings XIII International Conference
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.
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of Whole Buildings XIII International Conference
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 ...
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of Whole Buildings XIII International Conference
Security Notice Buildings Envelope Research Group This site was last updated Wednesday, 16 December 2015 by Teresa Williams.Teresa Williams.
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Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories
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 ...