Results 91 to 100 of about 852,908 (291)

Formulation and Application of Quantum Monte Carlo Method to Fractional Quantum Hall Systems

, 2003
Quantum Monte Carlo method is applied to fractional quantum Hall systems. The use of the linear programming method enables us to avoid the negative-sign problem in the Quantum Monte Carlo calculations. The formulation of this method and the technique for
Haldane, Lang, Moore, Sei Suzuki, Shibata, Tatsuya Nakajima, Yoshioka   +6 more
core   +2 more sources

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Evaluating Embedded Monte Carlo vs. Total Monte Carlo for Nuclear Data Uncertainty Quantification [PDF]

EPJ Web of Conferences
The purpose of this paper is to compare a new method called Embedded Monte Carlo (EMC) to the well-known Total Monte Carlo (TMC) method for nuclear data uncertainty propagation.
Biot Grégoire, Rochman Dimitri, Ducru Pablo, Forget Benoit   +3 more
doaj   +1 more source

Monte Carlo and kinetic Monte Carlo methods

, 2009
This article reviews the basic computational techniques for carrying out multi-scale simulations using statistical methods, with the focus on simulations of epitaxial growth. First, the statistical-physics background behind Monte Carlo simulations is briefly described.
openaire   +2 more sources

PRELIVE: A Framework for Predicting Lipid Nanoparticles In Vivo Efficacy and Reducing Reliance on Animal Testing

Advanced Functional Materials, EarlyView.
PREdicting LNP In Vivo Efficacy (PRELIVE) framework enables the prediction of lipid nanoparticle (LNPs) organ‐specific delivery through dual modeling approaches. Composition‐based models using formulation parameters and protein corona‐based models using biological fingerprints both achieve high predictive accuracy across multiple organs.
Belal I. Hanafy, Chuan‐En Lu, Kai Liu, Audrey Gallud   +3 more
wiley   +1 more source

MedLinac2: a GEANT4 based software package for radiotherapy

Annali dell'Istituto Superiore di Sanità, 2010
Dose distribution evaluation in oncological radiotherapy treatments is an outstanding problem that requires sophisticated computing technologies to optimize the clinical results (i.e.
Barbara Caccia, Claudio Andenna, Giuseppe Antonio Pablo Cirrone   +2 more
doaj   +1 more source

Comparison of Calculations for the Hubbard model obtained with Quantum-Monte-Carlo, exact and stochastic Diagonalization

, 1997
In this paper we compare numerical results for the ground state of the Hubbard model obtained by Quantum-Monte-Carlo simulations with results from exact and stochastic diagonalizations.
Fettes, Werner, Husslein, Thomas, Morgenstern, Ingo   +2 more
core   +1 more source

Scalable Thermal Engineering via Femtosecond Laser‐Direct‐Written Phononic Nanostructures

Advanced Functional Materials, EarlyView.
This study demonstrates that femtosecond laser‐induced periodic surface structures (fs‐LIPSS) can function as phononic metasurfaces, reducing thermal conductivity below the plain thin‐film limit. Phonon Monte Carlo analysis reveals that the periodic structures restrict phonon mean free paths.
Hiroki Hamma, Roman Anufriev, Kazuyoshi Fushinobu, Masahiro Nomura, Byunggi Kim   +4 more
wiley   +1 more source

Stochastic Assessment of Voltage Sags in Distribution Networks

Iranian Journal of Electrical and Electronic Engineering, 2008
This paper compares fault position and Monte Carlo methods as the most common methods in stochastic assessment of voltage sags. To compare their abilities, symmetrical and unsymmetrical faults with different probability distribution of fault positions ...
M. Aliakbar-Golkar, Y. Raisee-Gahrooyi
doaj  

Trial wave functions for High-Pressure Metallic Hydrogen

, 2007
Many body trial wave functions are the key ingredient for accurate Quantum Monte Carlo estimates of total electronic energies in many electron systems. In the Coupled Electron-Ion Monte Carlo method, the accuracy of the trial function must be conjugated ...
Alfé, Carlo Pierleoni, Ceperley, Ceperley, Ceperley, David M. Ceperley, Delaney, Dewing, Foulkes, Gaskell, Hammond, Holzmann, Johnson, Kohanoff, Kris T. Delaney, Kwon, Lin, Maksimov, Markus Holzmann, Martin, Miguel A. Morales, Natoli, Natoli, Panoff, Payne, Perdew, Pierleoni, Pierleoni, Pierleoni, Rios, Scandolo, Städele, Vorberger   +32 more
core   +1 more source