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SCALE Electronics, Photonics, and Space, Oh My! - An Introduction to the EPICA Program
Online Presentations | 02 Jan 2024 | Contributor(s):: Hannah Dattilo
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Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications
Online Presentations | 23 Dec 2022 | Contributor(s):: Enrique Guerrero
We will perform molecular dynamics computations using LAMMPS, simple Monte Carlo simulations including the Ising model, and run quantum chemistry and density functional theory computations.
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Solving the 2D Ising Model
Tools | 01 Nov 2022 | Contributor(s):: Ava Hallberg, George Maxwell Nishibuchi, Kat Nykiel, Alejandro Strachan
Using Markov Chain Monte Carlo Method to visualize magnetism via Ising Model
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Machine Learning Predicts Additive Manufacturing Part Quality: Tutorial on Support Vector Regression
Online Presentations | 26 Aug 2022 | Contributor(s):: Davis McGregor
This tutorial introduces and demonstrates the use of machine learning (ML) to address this need. Using data collected from an AM factory, you will train a support vector regression (SVR) model to predict the dimensions of AM parts based on the design geometry and manufacturing parameters.
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Monte Carlo Electron Dynamics
Tools | 21 Aug 2008 | Contributor(s):: Shaikh S. Ahmed, Zichang Zhang, Khadija Abul Khair, Sharnali Islam, Mohammad Zunaidur Rashid
Simulates non-stationary electron transport in emerging semiconductors using Monte Carlo approach. Models how particle distribution function evolves in time and allows the user to extract velocity-field and mobility characteristics.
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Monte Carlo HEMT Simulator
Tools | 30 Aug 2019 | Contributor(s):: Shaikh S. Ahmed, Mohammad Zunaidur Rashid, Khadija Abul Khair
Simulates the current-voltage (I-V) and related characteristics of a nitride-based HEMT device using the 3-D particle-based Monte Carlo approach.
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IWCN 2021: Effective Monte Carlo Simulator of Hole Transport in SiGe alloys
Online Presentations | 21 Jul 2021 | Contributor(s):: Caroline dos Santos Soares, Alan Rossetto, Dragica Vasileska, Gilson Wirth
In this work, an Ensemble Monte Carlo (EMC) transport simulator is presented for simulation of hole transport in SiGe alloys.
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IWCN 2021: Computational Research of CMOS Channel Material Benchmarking for Future Technology Nodes: Missions, Learnings, and Remaining Challenges
Online Presentations | 13 Jul 2021 | Contributor(s):: raseong kim, Uygar Avci, Ian Alexander Young
In this preentation, we review our journey of doing CMOS channel material benchmarking for future technology nodes. Through the comprehensive computational research for past several years, we have successfully projected the performance of various novel material CMOS based on rigorous physics...
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MIT Atomic-Scale Modeling Toolkit
Tools | 15 Jan 2008 | Contributor(s):: David A Strubbe, Enrique Guerrero, daniel richards, Elif Ertekin, Jeffrey C Grossman, Justin Riley
Tools for Atomic-Scale Modeling
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Gibbs Adsorption Simulator
Tools | 23 Sep 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates the adsorption of gases using Gibbs ensemble
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Mixed Gas Diffusion Calculator
Tools | 25 Jun 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates the diffusion of a gas mixture onto a metal organic framework
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Mixed Gas Adsorption Calculator
Tools | 21 Jun 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
This tool calculated the average adsorption of a gas mixture
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VLE Simulator
Tools | 10 Jun 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates the vapor liquid equilibrium of the first five Alkanes
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Gas Adsorption Calculator
Tools | 07 Mar 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates gas adsorption onto metal organic frameworks
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Composite Filament Simulation 3D
Tools | 06 Aug 2018 | Contributor(s):: Zachary Yun, Michelle Zhang, Ganesh Vurimi, Hayden Taylor, Sixian Jia
Simulate electrical properties of a nanowire composite filament.
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ME 597UQ Lecture 24: Bayesian Model Comparison using Sequential Monte Carlo
Online Presentations | 10 Apr 2018 | Contributor(s):: Ilias Bilionis
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Novel EM Nanoscale Techniques
Presentation Materials | 27 Nov 2017 | Contributor(s):: Brian Demczyk
Describes unconventional use of conventional techniques (SAD,CBED, HREM and Fourier analysis) to elucidate hard-to-access structural information at the nano scale.
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Applying Machine Learning to Computational Chemistry: Can We Predict Molecular Properties Faster without Compromising Accuracy?
Presentation Materials | 26 Jul 2017 | Contributor(s):: Hanjing Xu, Pradeep Kumar Gurunathan
Non-covalent interactions are crucial in analyzing protein folding and structure, function of DNA and RNA, structures of molecular crystals and aggregates, and many other processes in the fields of biology and chemistry. However, it is time and resource consuming to calculate such interactions...
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ZENO
Tools | 16 Nov 2016 | Contributor(s):: Derek Juba, Debra Audus, Michael Mascagni, Jack Douglas, Walid Keyrouz
Calculation of hydrodynamic, electrical, and shape properties of polymer and particle suspensions
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PREPRINT: Molecular Modeling of the Microstructure Evolution during the Carbonization of PAN-Based Carbon Fibers
Papers | 23 Mar 2017 | Contributor(s):: Alejandro Strachan, Saaketh Desai
PREPRINTDevelopment of high strength carbon fibers (CFs) requires an understanding of the relationship between the processing conditions, microstructure and resulting properties. We developed a molecular model that combines kinetic Monte Carlo (KMC) and molecular dynamics (MD) techniques to...