Sending report ...Contributors: View
Alejandro Strachan
| Contributions | 9 |
|---|---|
| Affiliation | Purdue University, West Lafayette |
| Web Site | https://engineering.purdue.edu/MSE/Fac_Staff/Faculty/Strachan.html |
| Biography | Alejandro Strachan is an Assistant Professor of Materials Engineering at Purdue University. He got his doctoral degree in Physics from the University of Buenos Aires, Argentina. Before joining Purdue, Prof. Strachan was a staff member at Los Alamos National Laboratory and worked at the California Institute of Technology. Prof. Strachan’s research focuses on developing and validating computational methodologies aimed at predicting the behavior of materials from first principles and their application in technologically relevant areas where a molecular-level understanding is lacking and can help solve outstanding problems. Areas of interest include: active and energetic materials, mechanical properties of nanoscale or nano-structured materials, and computational materials design. |
Contributions
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First Principles-based Atomistic and Mesoscale Modeling of Materials
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Usage Stats Last 12 Months: updated 01 May, 2008 Users: 313 Reviews & Citations Google/IEEE Avg. Review: Citations: 0
16 Nov. 2005 | Online Presentations | Contributor(s): Alejandro Strachan
The quantitativelly accurate prediction of materials behavior from first principles requires the chracterization of a wide range of phenomena with disparate temporal and spatial scales form electrons and atoms to devices. No single theory of computational model can capture all these phenomena …
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First Principles-Based Modeling of materials: Towards Computational Materials Design
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Usage Stats Last 12 Months: updated 01 May, 2008 Users: 56 Reviews & Citations Google/IEEE Avg. Review: Citations: 0
20 Apr. 2006 | Online Presentations | Contributor(s): Alejandro Strachan
Molecular dynamics (MD) simulations with accurate, first principles-based interatomic potentials is a powerful tool to uncover and characterize the molecular-level mechanisms that govern the chemical, mechanical and optical properties of materials. Such fundamental understanding is critical to …
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Introduction: molecular dynamics simulations
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Usage Stats Last 12 Months: updated 01 May, 2008 Users: 80 Reviews & Citations Google/IEEE Avg. Review: Citations: 0
09 Jan. 2008 | Online Presentations | Contributor(s): Alejandro Strachan
This short presentation will describe the idea behind MD simulations and demonstrate its use in real applications.
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Lecture 1: the theory behind molecular dynamics
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Usage Stats Last 12 Months: updated 01 May, 2008 Users: 61 Reviews & Citations Google/IEEE Avg. Review: Citations: 0
09 Jan. 2008 | Online Presentations | Contributor(s): Alejandro Strachan
The first lecture will provide a brief description of classical mechanics and statistical mechanics necessary to understand the physics and approximations behind MD and how to correctly interpret and analyze its results. The power, range of applicability and limitations of MD will be …
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Lecture 2: total energy and force calculations
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Usage Stats Last 12 Months: updated 01 May, 2008 Users: 62 Reviews & Citations Google/IEEE Avg. Review: Citations: 0
14 Jan. 2008 | Online Presentations | Contributor(s): Alejandro Strachan
This lecture will describe the various models used to describe the interactions between atoms in a wide range of materials including metals, ceramics and soft materials as well as new recent advances like reactive force fields. The key physics of widely used force fields will be described …
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Lecture 3: simulation details and coarse grain approaches
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Usage Stats Last 12 Months: updated 01 May, 2008 Users: 51 Reviews & Citations Google/IEEE Avg. Review: Citations: 0
09 Jan. 2008 | Online Presentations | Contributor(s): Alejandro Strachan
The last presentation will describe simulation techniques to simulate materials under isothermal and isobaric conditions. We will also describe coarse grain or mesodynamical approaches (where mesoparticles describe groups of atoms) focusing on recent advances in theory that enable …
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Lectures on Molecular Dynamics Modeling of Materials
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Usage Stats Last 12 Months: updated 01 May, 2008 Users: 119 Reviews & Citations Google/IEEE Avg. Review: Citations: 0
09 Jan. 2008 | Courses | Contributor(s): Alejandro Strachan
Molecular dynamics simulations are playing an increasingly important role in many areas of science and engineering, from biology and pharmacy to nanoelectronics and structural materials. Recent breakthroughs in methodologies and in first principles-based interatomic potentials significantly …
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Materials strength: does size matter? nanoMATERIALS simulation toolkit tutorial
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Usage Stats Last 12 Months: updated 01 May, 2008 Users: 247 Reviews & Citations Google/IEEE Avg. Review: Citations: 0
01 Feb. 2007 | Online Presentations | Contributor(s): Alejandro Strachan
Molecular dynamics (MD) is a powerful technique to characterize the fundamental, atomic-level processes that govern materials behavior and is playing an important role in our understanding of the new phenomena that arises in nanoscale and nanostructured materials and result in their unique …
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nano-Materials Simulation Toolkit
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Usage Stats Last 12 Months: Updated 16 May, 2008 more › Users: 362 Jobs: 2066 Avg. exec. time: 6 mins Reviews & Citations Google/IEEE Avg. Review: Citations: 0
09 Aug. 2006 | Tools | Contributor(s): Alejandro Strachan, Amritanshu Palaria
Molecular dynamics simulations and electronic structure of materials