Search Results - Python simulation

The atomic simulation environment-a Python library for working with atoms by Hjorth Larsen, Ask, Jørgen Mortensen, Jens, Blomqvist, Jakob, Castelli, Ivano E, Christensen, Rune, Dułak, Marcin, Friis, Jesper, Groves, Michael N, Hammer, Bjørk, Hargus, Cory, Hermes, Eric D, Jennings, Paul C, Bjerre Jensen, Peter, Kermode, James, Kitchin, John R, Leonhard Kolsbjerg, Esben, Kubal, Joseph, Kaasbjerg, Kristen, Lysgaard, Steen, Bergmann Maronsson, Jón, Maxson, Tristan, Olsen, Thomas, Pastewka, Lars, Peterson, Andrew, Rostgaard, Carsten, Schiøtz, Jakob, Schütt, Ole, Strange, Mikkel, Thygesen, Kristian S, Vegge, Tejs, Vilhelmsen, Lasse, Walter, Michael, Zeng, Zhenhua, Jacobsen, Karsten W

“…The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations…”
Get more information

Enhancing GPU‐Acceleration in the Python‐Based Simulations of Chemistry Frameworks by Wu, Xiaojie, Sun, Qiming, Pu, Zhichen, Zheng, Tianze, Ma, Wenzhi, Yan, Wen, Xia, Yu, Wu, Zhengxiao, Huo, Mian, Li, Xiang, Ren, Weiluo, Gong, Sheng, Zhang, Yumin, Gao, Weihao

“…‐accelerated Python quantum chemistry package. We have integrated GPU acceleration into other PySCF functionalities including Density Functional Theory (DFT…”
Get full text

Atomic Simulation Recipes: A Python framework and library for automated workflows by Gjerding, Morten, Skovhus, Thorbjørn, Rasmussen, Asbjørn, Bertoldo, Fabian, Larsen, Ask Hjorth, Mortensen, Jens Jørgen, Thygesen, Kristian Sommer

“…The Atomic Simulation Recipes (ASR) is an open source Python framework for working with atomistic materials simulations in an efficient and sustainable way that is ideally suited for high-throughput projects…”
Get full text

PySCF: the Python‐based simulations of chemistry framework by Sun, Qiming, Berkelbach, Timothy C., Blunt, Nick S., Booth, George H., Guo, Sheng, Li, Zhendong, Liu, Junzi, McClain, James D., Sayfutyarova, Elvira R., Sharma, Sandeep, Wouters, Sebastian, Chan, Garnet Kin‐Lic

“…Python‐based simulations of chemistry framework (PySCF) is a general‐purpose electronic structure platform designed from the ground up to emphasize code…”
Get full text

PySCo: A fast particle-mesh N -body code for modified gravity simulations in Python by Breton, Michel-Andrès

“…We present PySCo , a fast and user-friendly Python library designed to run cosmological N -body simulations across various cosmological models, such as ΛCDM (Λ…”
Get full text

Hands-on simulation modeling with python : develop simulation models to help you get accurate results and enhance the decision-making process by Ciaburro, Giuseppe

“…Learn to construct state-of-the-art simulation models with Python and enhance your simulation modelling skills, as well as create and analyze digital prototypes of physical models with easeKey…”
Get full text

Programming for Computations: Python : A Gentle Introduction to Numerical Simulations with Python 3.6 by Linge, Svein

“… This second edition of the well-received book has been extensively revised: All code is now written in Python version…”
Get full text

Python for chemistry : an introduction to python algorithms, simulations, and programing for chemistry by Kanagasabapathy, M.

“…A one-stop guide to teach chemists how to use Python for coding and iterations in a hands-on and practical manner Key Features…”
Get full text

Programming for Computations: Python : A Gentle Introduction to Numerical Simulations with Python by Linge, Svein, Langtangen, Hans Petter

“…Numerical simulations; programming; Python…”
Get full text

ArtPop: A Stellar Population and Image Simulation Python Package by Greco, Johnny P., Danieli, Shany

“…We present Art ificial Stellar Pop ulations ( ArtPop ), an open-source Python package for synthesizing stellar populations and generating artificial images of stellar systems, populated star by star…”
Get full text

Hands-On Simulation Modeling with Python: Develop simulation models for improved efficiency and precision in the decision-making process by Ciaburro, Giuseppe

“…Learn to construct state-of-the-art simulation models with Python and enhance your simulation modelling skills, as well as create and analyze digital prototypes of physical models with ease Key…”
Get full text

Designing a Python‐Based Simulation for Genetic Trait Segregation Experiments: Synergizing Probabilistic and Computational Thinking in STEM Education by Yang, Caixia, Zhang, Qingping, Fan, Dan

“… This study developed a Python‐based simulation tool for analyzing trait segregation, addressing these challenges…”
Get full text

dynsight: An open Python platform for simulation and experimental trajectory data analysis by Martino, Simone, Becchi, Matteo, Tarzia, Andrew, Rapetti, Daniele, Lionello, Chiara, Pavan, Giovanni M

“…) identifying and tracking the constitutive objects/particles, resolving their trajectories (e.g., in experimental cases, where these are not automatically available as in typical molecular simulations); (ii…”
Get more information

kMap.py: A Python program for simulation and data analysis in photoemission tomography by Brandstetter, Dominik, Yang, Xiaosheng, Lüftner, Daniel, Tautz, F. Stefan, Puschnig, Peter

“…Ultra-violet photoemission spectroscopy is a widely-used experimental technique to investigate the valence electronic structure of surfaces and interfaces…”
Get full text

Update 1.1 to “pysimm: A python package for simulation of molecular systems”, (PII: S2352711016300395) by Demidov, Alexander G., Perera, B. Lakshitha A., Fortunato, Michael E., Lin, Sibo, Colina, Coray M.

“…This update of the pysimm application programming interface, pysimm 1.1, provides both infrastructural as well as functional updates. Moreover, improvements to…”
Get full text

Toolkit in Python for Simulation of Shapiro Step on the Current–Voltage Characteristic of a Josephson Junction by Rahmonova, A., Rahmonov, I., Streltsova, O., Zuev, M.

“…The paper considers the simulation of the Josephson junction dynamics under the influence of external radiation…”
Get full text

Python simulation of the TSEC/KL-7 cipher machine by Flueckiger, Scott M.

Get full text

Hands-On Simulation Modeling with Python: Develop simulation models for improved efficiency and precision in the decision-making process, 2nd Edition by Giuseppe Ciaburro

“…Learn to construct state-of-the-art simulation models with Python and enhance your simulation modelling skills, as well as create and analyze digital prototypes of physical models with ease Key Features…”
Get full text

Cooling induced fracturing in impact melt dikes derived from drone photogrammetry and Python simulation: Example from the Lesutoskraal Granophyre Dike in South Africa by Clark, Martin D., Kovaleva, Elizaveta, Huber, Matthew S., Riekert, Stephanus, Fourie, Francois D.

“…Large meteorite impact events produce significant amounts of crustal melt, which can be emplaced as dikes below the crater floor over protracted time periods…”
Get full text

Comparative numerical study of crack detection in metals using FEM and python simulations for nondestructive testing by Woo-García, R.M., Montes de Oca-Mora, N.J., Galván-Martínez, R., Campechano-Lira, C., Herrera-May, A.L., de la Rosa, E. Osorio, Restrepo, J., Algredo-Badillo, I., López-Huerta, F.

“… This study introduces a novel numerical framework for Non-Destructive Testing (NDT) that compares a custom Python-based simulation model with Finite Element Method (FEM…”
Get full text