QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations [0.03%]
QM-MM 2023：一个结合量子力学和分子模拟的程序
Hai Lin,Yan Zhang,Soroosh Pezeshki et al.
Hai Lin et al.
Combined quantum mechanical and molecular mechanical (QM/MM) methods play an important role in multiscale modeling and simulations. QMMM 2023 is a general-purpose program for single-point calculations, geometry optimizations, transition sta...
Time-domain event detection using single-instruction, multiple-thread gpGPU architectures in single-molecule biophysical data [0.03%]
基于单指令流多数据流gpu架构的时间域事件检测在单分子生物物理数据中的应用研究
Boyan Penkov,David Niedzwiecki,Nicolae Lari et al.
Boyan Penkov et al.
Discrete amplitude levels in ordered, time-domain data often represent different underlying latent states of the system that is being interrogated. Analysis and feature extraction from these data sets generally require considering the order...
MCGPU-PET: An Open-Source Real-Time Monte Carlo PET Simulator [0.03%]
MCGPU-PET :一个开源的正电子发射断层成像实时蒙特卡洛模拟器
Joaquin L Herraiz,Alejandro Lopez-Montes,Andreu Badal
Joaquin L Herraiz
Monte Carlo (MC) simulations are commonly used to model the emission, transmission, and/or detection of radiation in Positron Emission Tomography (PET). In this work, we introduce a new open-source MC software for PET simulation, MCGPU-PET,...
Stephen Eckel,Daniel S Barker,Eric B Norrgard et al.
Stephen Eckel et al.
We present a Python object-oriented computer program for simulating various aspects of laser cooling physics. Our software is designed to be both easy to use and adaptable, allowing the user to specify the level structure, magnetic field pr...
Electrical impulse characterization along actin filaments in pathological conditions [0.03%]
病理条件下沿肌动蛋白丝的电脉冲特征分析
Christian Hunley,Md Mohsin,Marcelo Marucho
Christian Hunley
We present an interactive Mathematica notebook that characterizes the electrical impulses along actin filaments in both muscle and non-muscle cells for a wide range of physiological and pathological conditions. The simplicity of the theoret...
AAfrag: Interpolation routines for Monte Carlo results on secondary production in proton-proton, proton-nucleus and nucleus-nucleus interactions [0.03%]
AAfrag：用于质子-质子，质子-核和核-核相互作用中二次生产的蒙特卡罗结果的插值程序
M Kachelrieß,I V Moskalenko,S Ostapchenko
M Kachelrieß
We provide a compilation of predictions of the QGSJET-II-04m model for the production of secondary species (photons, neutrinos, electrons, positrons, and antinucleons) that are covering a wide range of energies of the beam particles in prot...
MFC: An open-source high-order multi-component, multi-phase, and multi-scale compressible flow solver [0.03%]
MFC：一个开源的高阶多组分、多相及多尺度可压缩流求解器
Spencer H Bryngelson,Kevin Schmidmayer,Vedran Coralic et al.
Spencer H Bryngelson et al.
MFC is an open-source tool for solving multi-component, multi-phase, and bubbly compressible flows. It is capable of efficiently solving a wide range of flows, including droplet atomization, shock-bubble interaction, and bubble dynamics. We...
Mi3-GPU: MCMC-based Inverse Ising Inference on GPUs for protein covariation analysis [0.03%]
基于MCMC的逆Ising推理的Mi3-GPU蛋白质共变分析中的GPU方法
Allan Haldane,Ronald M Levy
Allan Haldane
Inverse Ising inference is a method for inferring the coupling parameters of a Potts/Ising model based on observed site-covariation, which has found important applications in protein physics for detecting interactions between residues in pr...
A comparison of numerical approaches to the solution of the time-dependent Schrödinger equation in one dimension [0.03%]
一维时依赖Schrödinger方程数值解法的比较
H Gharibnejad,B I Schneider,M Leadingham et al.
H Gharibnejad et al.
We present a simple, one-dimensional model of an atom exposed to a time-dependent intense, short-pulse EM field with the objective of teaching undergraduates how to apply various numerical methods to study the behavior of this system as it ...
Full 3D position reconstruction of a radioactive source based on a novel hyperbolic geometrical algorithm [0.03%]
基于新型双曲几何算法的放射源三维位置重构方法研究
Costanza M V Panaino,Ranald I Mackay,Marios Sotiropoulos et al.
Costanza M V Panaino et al.
A new method to locate, with millimetre uncertainty, in 3D, a γ -ray source emitting multiple γ -rays in a cascade, employing conventional LaBr3(Ce) scintillation detectors, has been developed. Using 16 detectors in a symmetrical ...