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Articles 1 - 5 of 5
Full-Text Articles in Dynamics and Dynamical Systems
Designing Meaningful Molecular Dynamics (Md) Simulations: The Lithiation Of Silicon, María Camila Rincon, Alejandro Strachan, Hojin Kim, David Guzman, Mathew Cherukara
Designing Meaningful Molecular Dynamics (Md) Simulations: The Lithiation Of Silicon, María Camila Rincon, Alejandro Strachan, Hojin Kim, David Guzman, Mathew Cherukara
The Summer Undergraduate Research Fellowship (SURF) Symposium
Molecular dynamics (MD) is used to understand the properties of materials by following the time evolution of the system and exploring the interactions between its constituent atoms. MD simulation allows making reliable predictions of various properties of materials; however, designing useful computer experiments is a complex task that requires the appropriate selection of interatomic interactions (force fields) and other conditions. In this work we discuss some aspects of molecular dynamics that would help the inexperienced users design reliable simulations. The simulation of the lithiation process of silicon is taken as an example for better understanding.
Modeling The Impact Of Simulated Educational Interventions On The Use And Abuse Of Pharmaceutical Opioids In The United States: A Report On Initial Efforts, Wayne Wakeland, Alexandra E. Nielsen, Teresa D. Schmidt, Dennis Mccarty, Lynn Webster, John Fitzgerald, J. David Haddox
Modeling The Impact Of Simulated Educational Interventions On The Use And Abuse Of Pharmaceutical Opioids In The United States: A Report On Initial Efforts, Wayne Wakeland, Alexandra E. Nielsen, Teresa D. Schmidt, Dennis Mccarty, Lynn Webster, John Fitzgerald, J. David Haddox
Complex Systems Faculty Publications and Presentations
Three educational interventions were simulated in a system dynamics model of the medical use, trafficking, and nonmedical use of pharmaceutical opioids. The study relied on secondary data obtained in the literature for the period of 1995 to 2008 as well as expert panel recommendations regarding model parameters and structure. The behavior of the resulting systems-level model was tested for fit against reference behavior data. After the base model was tested, logic to represent three educational interventions was added and the impact of each intervention on simulated overdose deaths was evaluated over a 7-year evaluation period, 2008 to 2015. Principal findings …
Reward-Driven Training Of Random Boolean Network Reservoirs For Model-Free Environments, Padmashri Gargesa
Reward-Driven Training Of Random Boolean Network Reservoirs For Model-Free Environments, Padmashri Gargesa
Dissertations and Theses
Reservoir Computing (RC) is an emerging machine learning paradigm where a fixed kernel, built from a randomly connected "reservoir" with sufficiently rich dynamics, is capable of expanding the problem space in a non-linear fashion to a higher dimensional feature space. These features can then be interpreted by a linear readout layer that is trained by a gradient descent method. In comparison to traditional neural networks, only the output layer needs to be trained, which leads to a significant computational advantage. In addition, the short term memory of the reservoir dynamics has the ability to transform a complex temporal input state …
Active Optimal Control Strategies For Increasing The Efficiency Of Photovoltaic Cells, Sharif Aljoaba
Active Optimal Control Strategies For Increasing The Efficiency Of Photovoltaic Cells, Sharif Aljoaba
Theses and Dissertations--Electrical and Computer Engineering
Energy consumption has increased drastically during the last century. Currently, the worldwide energy consumption is about 17.4 TW and is predicted to reach 25 TW by 2035. Solar energy has emerged as one of the potential renewable energy sources. Since its first physical recognition in 1887 by Adams and Day till nowadays, research in solar energy is continuously developing. This has lead to many achievements and milestones that introduced it as one of the most reliable and sustainable energy sources. Recently, the International Energy Agency declared that solar energy is predicted to be one of the major electricity production energy …
Use Of Comsol Simulation For Undergraduate Fluid Dynamics Course, Hyun J. Kwon
Use Of Comsol Simulation For Undergraduate Fluid Dynamics Course, Hyun J. Kwon
Faculty Publications
The COMSOL software was used to introduce CFD and teach fluid dynamics more effectively. Introduction of CFD has become an important part of fluid dynamics in recent years; however, undergraduate students have less access to practical exposure to it, unless they take additional elective courses which are seldom offered in undergrad predominant institutes. Simulation has become an essential step in designing and optimizing process in many engineering problems. Therefore, the COMSOL simulation project was assigned to undergraduate CFD as a part of their term project to enhance their exposure to simulation software and help understanding the use of simulation on …