Results 91 to 100 of about 926,631 (217)

Majorana Positivity and the Fermion Sign Problem of Quantum Monte Carlo Simulations. [PDF]

Physical Review Letters, 2016
The sign problem is a major obstacle in quantum Monte Carlo simulations for many-body fermion systems. We examine this problem with a new perspective based on the Majorana reflection positivity and Majorana Kramers positivity.
Z. C. Wei, Congjun Wu, Y. Li, Shiwei Zhang, Tao Xiang   +4 more
semanticscholar   +1 more source

Electric‐Field‐Driven Reversal of Ferromagnetism in (110)‐Oriented, Single Phase, Multiferroic Co‐Substituted BiFeO3 Thin Films

Advanced Materials, EarlyView.
Electric‐field‐induced magnetization reversal is a long‐sought‐after achievement in materials engineering for use in next‐generation, ultra‐low power consumption memory devices. This work demonstrates fully electric‐field‐driven switching of the out‐of‐plane component of magnetization in (110)‐oriented Co‐substituted BiFeO3 thin films at room ...
Takuma Itoh, Kei Shigematsu, Hena Das, Peter Meisenheimer, Kei Maeda, Koomok Lee, Mahir Manna, Surya Prakash Reddy, Sandhya Susarla, Paul Stevenson, Ramamoorthy Ramesh, Masaki Azuma   +11 more
wiley   +1 more source

Ultrafast Superradiant Scintillation from Isolated Weakly Confined Perovskite Nanocrystals

Advanced Materials, EarlyView.
Efficiency and scintillation velocity are critical for high‐energy and medical physics. These parameters, typically conflicting in conventional scintillators, are simultaneously optimized by exploiting the giant oscillator strength of CsPbBr3 nanocrystals, leading to radiatively accelerated (multi)excitonic emission with unity efficiency without ...
Matteo L. Zaffalon, Andrea Fratelli, Zhanzhao Li, Francesco Bruni, Ihor Cherniukh, Francesco Carulli, Francesco Meinardi, Maksym V. Kovalenko, Liberato Manna, Sergio Brovelli   +9 more
wiley   +1 more source

Coupled Electron Ion Monte Carlo Calculations of Atomic Hydrogen [PDF]

, 2004
We present a new Monte Carlo method which couples Path Integral for finite temperature protons with Quantum Monte Carlo for ground state electrons, and we apply it to metallic hydrogen for pressures beyond molecular dissociation. This method fills the gap between high temperature electron-proton Path Integral and ground state Diffusion Monte Carlo ...
arxiv   +1 more source

Scintillation Response of 0D Cs3Cu2I5 Thin Layers to Light‐ and Heavy‐Ion Irradiation

Advanced Photonics Research, EarlyView.
Driven by increasing interest in uncovering the remarkable photoluminescence quantum yield of Cs3Cu2I5, polycrystalline thin layers are synthesized to investigate its radioluminescence response to energetic ions. Its spectroscopic capability is assessed in a wide range of ion mass and internal excitation processes are explored.
Mátyás Hunyadi, Attila Csík, Cintia Hajdu, Csaba Janáky, István Rajta, Gergely F. Samu, Lóránt Csige   +6 more
wiley   +1 more source

Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo. [PDF]

Journal of Chemical Physics, 2016
We present a simple and general formalism to compute efficiently the derivatives of a multi-determinant Jastrow-Slater wave function, the local energy, the interatomic forces, and similar quantities needed in quantum Monte Carlo.
C. Filippi, R. Assaraf, S. Moroni
semanticscholar   +1 more source

The Rise of Chalcohalide Solar Cells: Comprehensive Insights From Materials to Devices

Advanced Science, EarlyView.
This review provides a detailed overview of recent advancements in chalcohalide solar cells, focusing on structure design, material chemistry, synthesis methods, and device optimization. It also highlights future directions for improving device efficiency through innovative device architectures and synthesis techniques, addressing key challenges in ...
Hongrui Zhang, Yiming Xia, Yangfan Zhang, Uma V. Ghorpade, Mingrui He, Seung Wook Shin, Xiaojing Hao, Mahesh P. Suryawanshi   +7 more
wiley   +1 more source

Self-learning quantum Monte Carlo method in interacting fermion systems [PDF]

, 2016
The self-learning Monte Carlo method is a powerful general-purpose numerical method recently introduced to simulate many-body systems. In this work, we extend it to an interacting fermion quantum system in the framework of the widely used determinant ...
Xiao Yan Xu, Yang Qi, Junwei Liu, L. Fu, Z. Meng   +4 more
semanticscholar   +1 more source

DiffMC‐Gen: A Dual Denoising Diffusion Model for Multi‐Conditional Molecular Generation

Advanced Science, EarlyView.
DiffMC‐Gen, a dual‐diffusion model for 2D and 3D molecular generation, simultaneously optimizes multiple key objectives across the drug design process, enabling the generation of novel, target‐specific small‐molecule ligands with high therapeutic potential.
Yuwei Yang, Shukai Gu, Bo Liu, Xiaoqing Gong, Ruiqiang Lu, Jiayue Qiu, Xiaojun Yao, Huanxiang Liu   +7 more
wiley   +1 more source

Pushing the Frontiers: Artificial Intelligence (AI)‐Guided Programmable Concepts in Binary Self‐Assembly of Colloidal Nanoparticles

Advanced Science, EarlyView.
Colloidal nanoparticles self‐assembly advances towards intelligent, customized assembly through precise control of binary co‐assemblies. This review explores the evolution from monolithic to binary assemblies, highlighting how the AI‐guided programmable assembly approach has the potential to shift from passive assembly to active intelligent design.
Cancan Li, Lindong Ma, Zhenjie Xue, Xiao Li, Shan Zhu, Tie Wang   +5 more
wiley   +1 more source