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ATOMS UFRJ
Molecular Simulations of Ionic Liquid-Based Systems: From Structural to Optoelectronic Properties

Explore molecular simulations of ionic liquid systems, examining structural and optoelectronic properties for advanced applications.
- YouTube
- 52 minutes
- Self-Paced
- Free Video
ATOMS UFRJ
Designing Carbon-Based Adsorbents and Membranes via Molecular Simulations

Explore molecular simulations for designing carbon-based adsorbents and membranes in sustainable processes with Ph.D Daniel Bahamon Garcia.
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ICTP-SAIFR
Computational Investigation of Ultrafast Protein-Water Interactions

Explore computational methods for studying ultrafast interactions between proteins and water molecules, uncovering insights into molecular biophysics.
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nanohubtechtalks
Chemistry and Materials with the Amsterdam Modeling Suite

Explore atomistic simulations using Amsterdam Modeling Suite. Learn about AMS driver, DFT engines, force fields, and PARAMS for novel molecular interactions. Gain insights through demos and practical applications.
- YouTube
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nanohubtechtalks
Teaching Electronic Structure Methods in Chemistry Using Simulation Tools in nanoHUB

Explore electronic structure methods in chemistry using nanoHUB simulation tools. Learn to teach computational chemistry concepts and gain hands-on practice with Hartree-Fock and basis sets using ORCA.
- YouTube
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nanohubtechtalks
Teaching Chemistry Tools on nanoHUB - Overview by George Schatz

Explore nanoHUB tools for teaching chemistry, including DDSCAT, QC-Lab, and Nanosphere Optics Lab. Learn about applications in optics, spectroscopy, and molecular modeling from Prof. George Schatz.
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QCHEM LAB at KNU
Exploring Potential Energy Surfaces with the Unified Reaction Valley Approach (URVA)

Explore potential energy surfaces using the unified reaction valley approach (URVA) for advanced chemical reaction analysis and understanding.
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Materials Cloud
Realizing Schrödinger's Dream with AI-Enabled Molecular Simulations

Discover how AI-enabled molecular simulations are bringing Schrödinger's dream to reality in this distinguished lecture by Prof. Alexandre Tkatchenko from the University of Luxembourg.
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Cambridge Materials
Rise of Electronic Structure Calculations

Discover the evolution of electronic structure calculations through a Cambridge professor's personal perspective on solving Dirac's complex quantum equations in physics and chemistry.
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GERAD Research Center
A Geometric Framework Beyond Euclidean Space for Molecular Optimization

Discover a novel non-Euclidean geometric framework for molecular optimization that simplifies distance calculations and enhances energy minimization algorithms in computational chemistry.
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Institut Català de Nanociència i Nanotecnologia
Development of Computational Frameworks for Novel Catalyst Materials and Chemical Process Flowsheet Design

Discover computational frameworks for designing novel catalyst materials and optimizing chemical process flowsheets in this specialized nanoseminar.
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Materials Cloud
Solvent and Environment Effects - Continuum Models - Lecture 14

Explore continuum models for understanding solvent and environmental effects in computational materials science through expert analysis.
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Methods and Models for Chemical Toxicity Prediction - 2022

Explore computational methods for predicting chemical toxicity, integrating structural alerts and QSAR models for comprehensive safety assessment of new compounds.
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How Molsoft Scarab Helped Fight COVID-19 in the UK

Explore how Molsoft Scarab contributed to COVID-19 research in the UK, presented by Oxford's Dr. Brian Marsden at MolSoft's User Group Meeting.
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Computational Approaches and Methodologies in Proximity Induced Pharmacology

Explore computational approaches in proximity-induced pharmacology, focusing on PROTACS, structural analysis, and strategies for optimizing PROTAC screening and predicting activity.
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