The twentieth century has been shaped by sweeping changes in communication technology. The latest development to radically transform the communication landscape has been the widespread adoption of ...
Hydroxyls are present as surface terminations of transition metal oxides under ambient conditions and may modify the properties of supported catalysts. We perform first-principles density functional ...
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 ...
If the source is a component of the network and the target is the network itself, then the value becomes an output from the network. If the source is the network and the target is a component of the ...
Publications either using or about Quantum Monte Carlo. There is also a complete list of publications.
Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical ...
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 ...
Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical ...
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 ...
DOE Pulse highlights work being done at the Department of Energy's national laboratories. DOE's laboratories house world-class facilities where more than 30,000 scientists and engineers perform ...
Evaluation of the excitation spectra with diffusion Monte Carlo on an auxiliary bosonic ground state
We aim to improve upon the variational Monte Carlo (VMC) approach for excitations replacing the Jastrow factor by an auxiliary bosonic (AB) ground state and multiplying it by a fermionic component ...
Inaugurated in 1979, the "Buildings Conference" takes place every three years allowing time to develop new research and technology applications and to document the findings. Attendance is ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results