Guides

Course- and topic-based guides to collections, tools, and services.
Library info; guides & content by subject specialists
Results include
  1. Schrödinger Workshop: Materials Science

    This half-day workshop for beginning and intermediate users of MSS, is designed to enable attendees to properly build molecular and periodic systems, set up Quantum and Molecular Dynamics simulations, run, and perform advanced analyses. Multistage simulations workflows using Maestro Graphical User Interface for high-throughput calculations will be introduced. Topics include methods for building large molecular combinatorial structure libraries for exploring chemical space for materials design. The workshop will consist of lectures and hands-on training components. More details on MSS can be found at: http://www.schrodinger.com/materials/ Topics to be covered:1. Building Models for Quantum Mechanics Calculations2. Quantum Mechanical Calculations and Applications of DFT3. High-throughput Quantum Chemistry Calculations4. Workflows for Materials Design5. Building Amorphous structures for Molecular Dynamics Simulations6. Workflows to run Molecular Dynamics Simulations to obtain thermodynamic properties.7. Analyzing Molecular Dynamics trajectory 8. Concluding Remarks

    1. About
    2. Workshops
  2. Schrödinger Materials Science Suite (MSS) Workshop

    This half-day workshop for beginning and intermediate users of MSS, is designed to enable attendees to properly build molecular and periodic systems, set up Quantum and Molecular Dynamics simulations, run, and perform advanced analyses. Multistage simulations workflows using Maestro Graphical User Interface for high-throughput calculations will be introduced.   Topics include methods for building large molecular combinatorial structure libraries for exploring chemical space for materials design. The workshop will consist of lectures and hands-on training components. More details on MSS can be found at: http://www.schrodinger.com/materials/ Topics to be covered: Building Models for Quantum Mechanics Calculations Quantum Mechanical Calculations and Applications of DFT High-throughput Quantum Chemistry Calculations Workflows for Materials Design Building Amorphous structures for Molecular Dynamics Simulations Workflows to run Molecular Dynamics Simulations to obtain thermodynamic properties. Analyzing Molecular Dynamics trajectory Concluding Remarks

    1. About
    2. Workshops

Exhibits

Digital showcases for research and teaching.
No exhibits results found... Try a different search

Yewno

Knowledge graphs for interconnecting concepts.

More search tools

Tools to help you discover resources at Stanford and beyond.