Results 181 to 190 of about 189,782 (285)

Ab-initio molecular dynamics with quantum Monte Carlo

Frontiers in Materials, 2015
Ye eLuo, Sandro eSorella
doaj   +1 more source

Bipartite reweight-annealing algorithm of quantum Monte Carlo to extract large-scale data of entanglement entropy and its derivative. [PDF]

Nat Commun
Wang Z, Wang Z, Ding YM, Mao BB, Yan Z.
europepmc   +1 more source

Survey on AI‐Enabled Computer Vision Technologies and Applications for Space Robotic Missions

Journal of Field Robotics, EarlyView.
ABSTRACT This survey provides a comprehensive overview of recent advancements and challenges in Artificial Intelligence (AI)‐enabled computer vision (CV) techniques for space robotic missions, spanning critical phases such as Entry, Descent, and Landing (EDL), orbital operations, and planetary surface exploration.
Maciej Quoos, Steven Kay, Julia Wajoras, Robert Field, Evridiki V. Ntagiou, Fakher Mohammad, Yang Gao   +6 more
wiley   +1 more source

Self-Refinement of Auxiliary-Field Quantum Monte Carlo via Non-Orthogonal Configuration Interaction. [PDF]

J Chem Theory Comput
Sukurma Z, Schlipf M, Kresse G.
europepmc   +1 more source

Strategy for One‐Step Optimization of Metal Oxide Passivating Contact Materials for Si Heterojunction Solar Cells through Growth Angle Variation

Small, EarlyView.
A one‐step oblique angle reactive sputtering approach enables simultaneous tuning of bulk and interfacial stoichiometry in a metal oxide/ silicon heterojunction. In case of vanadium oxides, growth angle variation controls the formation of stoichiometric SiO2, ternary SiOx(V) interlayer, and phase purity of vanadium oxide, considerably simplifying the ...
Aparajita Mandal, Alexis Franquet, Hans Hofsäss, Tapobrata Som   +3 more
wiley   +1 more source

Adhesion and Reconstruction of Graphene/Hexagonal Boron Nitride Heterostructures: A Quantum Monte Carlo Study. [PDF]

ACS Nano
Szyniszewski M, Mostaani E, Knothe A, Enaldiev V, Ferrari AC, Fal'ko VI, Drummond ND.   +6 more
europepmc   +1 more source

Short‐Range Order and LixTM4−x Probability Maps for Disordered Rocksalt Cathodes

Small, EarlyView.
Monte Carlo mapping with a simplified cluster description framework discloses the origin of Li4${\rm Li}_4$ deficiency and unfavorable short‐range order prevalent in most DRX materials. Statistical mechanical sampling indicates that ordering quantities in the disordered state do not necessarily represent a simple attenuation of their low‐temperature ...
Tzu‐chen Liu, Steven B. Torrisi, Chris Wolverton   +2 more
wiley   +1 more source

Non‐reciprocal spin excitations across the skyrmion–paramagnetic phase transition in MnSi

Journal of Applied Crystallography, EarlyView.
Inelastic neutron scattering shows that the non‐reciprocal nature of the magnons in the skyrmion phase of MnSi is maintained for high temperatures well beyond the skyrmion–paramagnetic phase transition.The magnetic excitations of the skyrmion lattice in MnSi comprise a multitude of individual modes, which are non‐reciprocal and thereby propagate ...
T. Weber, K. Schmalzl, J. Waizner, A. Bauer, M. Garst, C. Pfleiderer   +5 more
wiley   +1 more source

Carbon Doping in Small Lithium Clusters: Structural, Energetic, and Electronic Properties from Quantum Monte Carlo Calculations. [PDF]

ACS Omega
Brito BGA, Hai GQ, Cândido L.
europepmc   +1 more source

New para‐hydrogen cold neutron source at the Budapest Research Reactor: Monte Carlo simulations

Journal of Applied Crystallography, EarlyView.
This paper explores the options for upgrading the cold neutron source at the Budapest Research Reactor.The planned upgrade of the neutron guide system at the Budapest Research Reactor (BRR) provides an opportunity to enhance the performance of its cold neutron source.
Dmitrii Shapiro, Petr Konik, Mina Akhyani, Alexander Ioffe   +3 more
wiley   +1 more source