Tootfinder

This https://arxiv.org/abs/2404.07181 has been replaced.
initial toot: https://mastoxiv.page/@a…

BAMBOO: a predictive and transferable machine learning force field framework for liquid electrolyte development
Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the ba…

Muse Stellarator: Kostengünstiger Fusionsreaktor mit Teilen aus dem 3D-Drucker
Der Stellarator Muse des Princeton Plasma Physics Laboratory kommt mit Permanentmagneten, preisgünstigen Teilen von der Stange und aus dem 3D-Drucker aus.

This https://arxiv.org/abs/2404.07181 has been replaced.
initial toot: https://mastoxiv.page/@a…

BAMBOO: a predictive and transferable machine learning force field framework for liquid electrolyte development
Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the ba…

A Survey of Coronal Mass Ejections Measured In Situ by Parker Solar Probe During 2018-2022
Tarik M. SalmanDepartment of Physics and Astronomy, George Mason University, Fairfax, VA, USA, Heliophysics Science Division, NASA Goddard Space Flight Center, Greenbelt, MD, USA, Teresa Nieves-ChinchillaHeliophysics Science Division, NASA Goddard Space Flight Center, Greenbelt, MD, USA, Lan K. JianHeliophysics Science Division, NASA Goddard Space Flight Center, Greenbelt, MD, USA, No\'e Luga…

A Survey of Coronal Mass Ejections Measured In Situ by Parker Solar Probe During 2018-2022
We present a statistical investigation of the radial evolution of 28 interplanetary coronal mass ejections (ICMEs), measured in situ by the Parker Solar Probe (PSP) spacecraft from 2018 October to 2022 August. First, by analyzing the radial distribution of ICME classification based on magnetic hodograms, we find that coherent configurations are more likely to be observed close to the Sun. In contrast, more complex configurations are observed farther out. We also notice that the post-ICME magnet…

BAMBOO: a predictive and transferable machine learning force field framework for liquid electrolyte development
Sheng Gong, Yumin Zhang, Zhenliang Mu, Zhichen Pu, Hongyi Wang, Zhiao Yu, Mengyi Chen, Tianze Zheng, Zhi Wang, Lifei Chen, Xiaojie Wu, Shaochen Shi, Weihao Gao, Wen Yan, Liang Xiang
https://arxiv.org/abs/2404.07181

BAMBOO: a predictive and transferable machine learning force field framework for liquid electrolyte development
Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the ba…

Characterization of a novel time-resolved, real-time scintillation dosimetry system for ultra-high dose rate radiation therapy applications
Alexander BaikalovDepartment of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, TX, United States, Department of Radiation Oncology, School of Medicine and Klinikum rechts der Isar, Technical University of Munich, Munich, Germany, Institute of Radiation Medicine, Helmholtz Zentrum M\"unchen GmbH, German Research …

Characterization of a novel time-resolved, real-time scintillation dosimetry system for ultra-high dose rate radiation therapy applications
Background: Scintillation dosimetry has promising qualities for ultra-high dose rate (UHDR) radiotherapy (RT), but no system has shown compatibility with mean dose rates ($\bar{DR}$) above 100 Gy/s and doses per pulse ($D_p$) exceeding 1.5 Gy typical of UHDR (FLASH)-RT. The aim of this study was to characterize a novel scintillator dosimetry system with the potential of accommodating UHDRs. Methods: A thorough dosimetric characterization of the system was performed on an UHDR electron beamline.…

Protein Conformation Generation via Force-Guided SE(3) Diffusion Models
Yan Wang, Lihao Wang, Yuning Shen, Yiqun Wang, Huizhuo Yuan, Yue Wu, Quanquan Gu
https://arxiv.org/abs/2403.14088

Protein Conformation Generation via Force-Guided SE(3) Diffusion Models
The conformational landscape of proteins is crucial to understanding their functionality in complex biological processes. Traditional physics-based computational methods, such as molecular dynamics (MD) simulations, suffer from rare event sampling and long equilibration time problems, hindering their applications in general protein systems. Recently, deep generative modeling techniques, especially diffusion models, have been employed to generate novel protein conformations. However, existing sc…

This https://arxiv.org/abs/2210.14343 has been replaced.
link: https://scholar.google.com/scholar?q=a

Enhanced mobility of dislocation network nodes and its effect on dislocation multiplication and strain hardening
Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been developed, but its lack of atomistic resolution leaves open the possibility that certain key mechanisms may be overlooked. By comparing large-scale Molecular Dynamics (MD) with DDD simulations performed under identical conditions we uncover significant discrepan…

This https://arxiv.org/abs/2404.07181 has been replaced.
initial toot: https://mastoxiv.page/@a…

BAMBOO: a predictive and transferable machine learning force field framework for liquid electrolyte development
Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the ba…