Electronic Structure of Nanoclusters by Quantum Monte Carlo Methods
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Cluster Science"
DOI: 10.1007/s10876-020-01841-4
Abstract: The valence electron binding energies of the atomic clusters $$\hbox {XAl}_3^-$$ XAl 3 - (X = Si, Ge, and Sn) and $$\hbox {YAl}_4^-$$ YAl 4 - (Y = Li, Na, and Cu) are investigated using… read more here.
Keywords: electronic structure; monte carlo; quantum monte; carlo ... See more keywords
Accelerating Monte Carlo estimation with derivatives of high-level finite element models
Sign Up to like & getrecommendations! Published in 2017 at "Computer Methods in Applied Mechanics and Engineering"
DOI: 10.1016/j.cma.2017.01.041
Abstract: In this paper we demonstrate the ability of a derivative-driven Monte Carlo estimator to accelerate the propagation of uncertainty through two high-level non-linear finite element models. The use of derivative information amounts to a correction… read more here.
Keywords: finite element; high level; monte carlo; carlo ... See more keywords
Abstract ID: 160 Advanced personalised 3D dosimetry based on Monte Carlo simulation for Peptide Receptor Radionuclide Therapy
Sign Up to like & getrecommendations! Published in 2017 at "Physica Medica"
DOI: 10.1016/j.ejmp.2017.09.084
Abstract: Molecular radiotherapy (MRT) is an effective technique for the treatment of several oncological diseases, based on the delivery of radiation to malignant tissues via the interaction of an agent with molecular sites and receptors [1]… read more here.
Keywords: monte carlo; calculation; carlo; dosimetry ... See more keywords
Combination of the Monte Carlo method and DDA to evaluate the radiative properties of ITO- pigmented and TiO2-pigmented coatings
Sign Up to like & getrecommendations! Published in 2019 at "International Journal of Thermal Sciences"
DOI: 10.1016/j.ijthermalsci.2019.106076
Abstract: Abstract Indium tin oxide (ITO) and titanium dioxide (TiO2) are both widely used as pigments for thermal barrier coatings. Instead of being assumed to be the overall spherical particles, the ITO and TiO2 pigment particles… read more here.
Keywords: tio2; carlo method; monte carlo; carlo ... See more keywords
Combining Total Monte Carlo and Unified Monte Carlo : Bayesian nuclear data uncertainty quantification from auto-generated experimental covariances
Sign Up to like & getrecommendations! Published in 2017 at "Progress in Nuclear Energy"
DOI: 10.1016/j.pnucene.2016.11.006
Abstract: The Total Monte Carlo methodology (TMC) for nuclear data (ND) uncertainty propagation has been subject to some critique because the nuclear reaction parameters are sampled from distributions which ... read more here.
Keywords: data uncertainty; monte carlo; carlo; total monte ... See more keywords
Activation studies for the decommissioning of PET cyclotron bunkers by means of Monte Carlo simulations
Sign Up to like & getrecommendations! Published in 2020 at "Radiation Physics and Chemistry"
DOI: 10.1016/j.radphyschem.2020.108966
Abstract: Abstract During the operational life of a PET cyclotron, the concrete walls of the vault are activated by secondary neutrons. For the dismantling of such accelerator facilities, a considerable amount of low level solid radioactive… read more here.
Keywords: pet cyclotron; monte carlo; carlo; carlo simulations ... See more keywords
Update 2.70 to "GOMC: GPU Optimized Monte Carlo for the simulation of phase equilibria and physical properties of complex fluids"
Sign Up to like & getrecommendations! Published in 2021 at "SoftwareX"
DOI: 10.1016/j.softx.2020.100627
Abstract: Abstract Major updates in version 2.70 of GOMC include new Monte Carlo moves to enhance the sampling of phase space, such as Molecular Exchange Monte Carlo (MEMC), configurational-bias for molecules that contain rings, the crankshaft… read more here.
Keywords: phase; gomc gpu; gpu optimized; monte carlo ... See more keywords
Referee acknowledgement for 2018
Sign Up to like & getrecommendations! Published in 2019 at "British Journal of Cancer"
DOI: 10.1038/s41416-019-0490-x
Abstract: Daniel Abate-Daga Omar Abdel-Rahman Hinrich Abken Eric O. Aboagye Thomas Abrams Rosalind Adam Ari Adamy Antoine Adenis Pedro Aguiar Jr Julio A. Aguirre-Ghiso Jaffer Ajani Lars Akslen Tommy Alain Donatella Aldinucci Krasimira Aleksandrova Laia Alemany… read more here.
Keywords: chen; carlo; alan; acknowledgement 2018 ... See more keywords
Diffusion and reptation quantum Monte Carlo study of the NaK molecule
Sign Up to like & getrecommendations! Published in 2018 at "Molecular Physics"
DOI: 10.1080/00268976.2018.1543900
Abstract: ABSTRACT Diffusion Monte Carlo (DMC) and Reptation Monte Carlo (RMC) methods, have been applied to study some properties of the NaK molecule. Hartree–Fock (HF), Density Functional (DFT) and single and double configuration interaction (SDCI) wavefunctions… read more here.
Keywords: monte carlo; nak molecule; quantum monte; carlo ... See more keywords
Algorithms for solving high dimensional PDEs: from nonlinear Monte Carlo to machine learning
Sign Up to like & getrecommendations! Published in 2021 at "Nonlinearity"
DOI: 10.1088/1361-6544/ac337f
Abstract: In recent years, tremendous progress has been made on numerical algorithms for solving partial differential equations (PDEs) in a very high dimension, using ideas from either nonlinear (multilevel) Monte Carlo or deep learning. They are… read more here.
Keywords: monte carlo; algorithms solving; carlo; nonlinear monte ... See more keywords
Quantum Monte Carlo simulation of generalized Kitaev models
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review B"
DOI: 10.1103/physrevb.104.l081106
Abstract: Frustrated spin systems generically suffer from the negative sign problem inherent to Monte Carlo methods. Since the severity of this problem is formulation dependent, optimization strategies can be put forward. We introduce a phase pinning… read more here.
Keywords: generalized kitaev; monte carlo; carlo; quantum monte ... See more keywords