Teaching and Learning with the MIT Atomic Scale Modeling Toolkit's Classical and Quantum Atomic Modeling Applications
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.
Dr. rer. nat. Nongnuch Artrith (http://nartrith.atomistic.net) is a Tenure-Track Assistant Professor in the Materials Chemistry and Catalysis group at the Debye Institute for Nanomaterials Science,...
Solving the 2D Ising Model
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
Machine Learning Predicts Additive Manufacturing Part Quality: Tutorial on Support Vector Regression
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.
Monte Carlo Electron Dynamics
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.
Monte Carlo HEMT Simulator
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.
IWCN 2021: Effective Monte Carlo Simulator of Hole Transport in SiGe alloys
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.
IWCN 2021: Computational Research of CMOS Channel Material Benchmarking for Future Technology Nodes: Missions, Learnings, and Remaining Challenges
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...
MIT Atomic-Scale Modeling Toolkit
15 Jan 2008 | | Contributor(s):: daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley, Enrique Guerrero
Tools for Atomic-Scale Modeling
Gibbs Adsorption Simulator
23 Sep 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates the adsorption of gases using Gibbs ensemble
Mixed Gas Diffusion Calculator
25 Jun 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates the diffusion of a gas mixture onto a metal organic framework
Mixed Gas Adsorption Calculator
21 Jun 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz
This tool calculated the average adsorption of a gas mixture
10 Jun 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates the vapor liquid equilibrium of the first five Alkanes
Gas Adsorption Calculator
07 Mar 2019 | | Contributor(s):: Julian C Umeh, Thomas A Manz
Simulates gas adsorption onto metal organic frameworks
Thomas A Manz
Tom Manz is a Chemical & Materials Engineering faculty at New Mexico State University. His research group develops new computational chemistry methods and physical interaction models. He is the...
Composite Filament Simulation 3D
06 Aug 2018 | | Contributor(s):: Zachary Yun, Michelle Zhang, Ganesh Vurimi, Hayden Taylor
Simulate electrical properties of a nanowire composite filament.
I'm a Final Year UG student pursuing B.Tech in Mechanical Engineering. I wish to pursue MS in Material Science and Engineering and further develop better materials for wide array of products...