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Building a nanoHUB Graphical Interface for Exploring Protein Dynamics and Spectroscopy: the PigmentHunter App
18 Apr 2024 | | Contributor(s):: Safa Ahad
Running and analyzing protein molecular dynamics (MD) simulations can be time consuming and tedious. In this webinar, we introduce PigmentHunter , an online nanoHUB tool that enables “point-and-click” MD-based simulation of excitonic spectra of chlorophyll proteins based on PDB...
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SCALE Student Poster: An Embedded Phase Change Material Thermal Management Strategy
15 Apr 2024 | | Contributor(s):: Meghavin Chandulal Bhatasana
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SCALE Student Poster: Thermal Characterization of Contemporary Electrical Insulation Materials
15 Apr 2024 | | Contributor(s):: Shanmukhi Sripada
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SCALE Student Poster: Phase and Property Control of Vanadium Dioxide Thin Films
15 Apr 2024 | | Contributor(s):: Claire Mihalko
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SCALE Student Poster: Temperature-Controlled Transition Boiling at the Stagnation Zone during Submerged Jet Impingement of a Dielectric Fluid
15 Apr 2024 | | Contributor(s):: Alexander Morris Ceperley
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Thermal Transport in Layered Materials, Devices, and Systems
11 Apr 2024 | | Contributor(s):: Eric Pop
The thermal properties of layered materials (like graphene and MoS2) are an active area of investigation, particularly due to their anisotropic and tunable thermal conductivity. We have studied their behavior as part of transistors, where self-heating is a major challenge for performance and...
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What Are 2D Materials Good For?
11 Apr 2024 | | Contributor(s):: Eric Pop
This talk will present my (admittedly biased) perspective of what two-dimensional (2D) materials could be good for. For example, they may be good for applications where their ultrathin nature and lack of dangling bonds give them distinct advantages, such as flexible electronics or DNA-sorting...
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Investigating the Aging Effects on the Cu, Ni and Au Intermetallic in High Temperature Solders
09 Apr 2024 | | Contributor(s):: Nathaniel E Weddington, Carol A Handwerker (editor), John Blendell (editor)
This presentation focuses on investigating aging effects on the Cu, Ni, and Au intermetallic in high-temperature solders. The process in which the solder joint samples are created involves the process of melting, solidification, and aging of the sample. The main topic of this presentation...
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Exciton Ultrafast Dynamics in Nanomaterials
07 Dec 2023 | | Contributor(s):: Aziz Boulesbaa, The Micro Nano Technology - Education Center
In this talk, I will present our experimental capabilities to study nanomaterials. In particular, femtosecond laser spectroscopy and microscopy will be discussed....
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Data-Driven Materials Innovation: where Machine Learning Meets Physics
29 Nov 2023 | | Contributor(s):: Anand Chandrasekaran
Learn how Schrödinger’s tools can address common issues by using a combination of physics-based simulation data, enterprise informatics, and chemistry-aware ML.
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Hands-On Workshop in nanoHUB: Machine Learning Models for Ionic Conductivity with Schrödinger's AutoQSAR
29 Nov 2023 | | Contributor(s):: Michael Rauch
In this workshop, we will demonstrate the hands-on use of Schrödinger's MS Maestro graphical user interface within nanoHUB to perform machine learning model creation and implementation.
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Schrödinger Materials Science AutoQSAR for Machine Learning
11 Sep 2023 |
Build quantitative structure-activity relationships (QSAR) automatically for molecular systems with Schrödinger's AutoQSAR tool
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Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler
14 Jul 2023 | | Contributor(s):: Tongtong Shen
In this talk, I will showcase how atomic-level simulations can lead to a more fundamental understanding of PAN crystal structures and guide you through an interactive Polymer Modeler powered by nanoHUB.
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Phase Diagrams & Pb-free Low-temperature Solder Materials in Microelectronics
24 May 2023 | | Contributor(s):: Carol Handwerker, Congying Wang, Alejandro Strachan
This module enables students to use the Thermo-Calc Educational Package in nanoHUB to work with concepts and skills for interpreting and using phase diagrams to design low temperature solders for microelectronics applications. You can directly run the Thermo-Calc Educational Package in...
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Chemistry and Materials with the Amsterdam Modeling Suite
19 Apr 2023 | | Contributor(s):: Nicolas Onofrio
In this talk, I will give an overview of the Amsterdam Modeling Suite to perform atomistic simulations at various levels of theory.
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Mechanical response of materials using Jupyter
31 Jan 2023 | | Contributor(s):: Alejandro Strachan
This tool provides mathematical tools using python in Jupyter to explore and calculate mechanical properties of materials
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Materials and Manufacturing Innovation towards Sustainable Energy
24 Jan 2023 | | Contributor(s):: Tian Li
Transitioning into a sustainable future requires the identification of sustainable and functional materials with high performance. As the main component of wood, cellulose is the most abundant polymer on earth with many economic and environmental benefits. Cellulose provides a unique hierarchical...
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DNA Automation with Nano-Structured Ceramics
03 Jan 2023 | | Contributor(s):: NACK Network
We will discuss how the use of nano-structured ceramic films enables the synthesis of hundreds of DNA genes in gram quantities overnight. Furthermore, we will describe how these nano-structured ceramics can be manufactured without the use of expensive, currently highly backlogged, nanofabs...
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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.
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Introduction to X-ray Diffraction (XRD)
02 Dec 2022 | | Contributor(s):: Peter Kazarinoff, NACK Network