Atomistica WORKSHOPS

Workshop Schrödinger Virtual Station

WORKSHOP ON APPLICATION OF SCHRÖDINGER VIRTUAL STATION

About workshop

In 2021, Dr. Stevan Armaković was invited by the developers of Schrödinger Virtual Station to participate in beta testing of this novel cloud computing platform for molecular modeling and materials simulations. This opportunity led to the organization of the workshop titled which showcased how advanced computational chemistry can be performed entirely through a web interface.

The workshop brought together a diverse group of participants, including four students from “Jovan Jovanović Zmaj” High School from Novi Sad and ten Ph.D. students from the University of Novi Sad with backgrounds in experimental materials science. The event served both as a testbed for the emerging Schrödinger Virtual Cluster environment and as an educational experience for demonstrating its potential in research and teaching.

The focus of the workshop was placed on quasi-periodic structures and molecular DFT simulations, allowing students to gain practical experience with high-accuracy modeling tasks in real time. The event demonstrated how cloud-based platforms like Schrödinger Virtual Station can empower both researchers and educators by removing hardware limitations and making deep computational science accessible directly from the web browser.

About Schrodinger Virtual Station

The Schrödinger Virtual Station, also known as the Schrödinger Virtual Cluster, is an advanced cloud computing environment designed to deliver the full power of Schrödinger’s molecular modeling and simulation software through a secure and scalable web interface. Developed in collaboration with Google Cloud and NVIDIA, it provides researchers, educators, and industry professionals with on-demand access to high-performance computing resources, without the need for maintaining local infrastructure.

At its core, the Schrödinger Virtual Station integrates pre-configured Schrödinger software, including Maestro and MS Maestro, with automated job scheduling, resource scaling, and cloud orchestration. The environment can be deployed either in a user’s own cloud account or hosted entirely by Schrödinger, ensuring flexibility, security, and seamless performance across projects of all scales.

Key advantages include:

  • Automatic scaling of computational resources based on workload and licensing availability.
  • Reduced maintenance overhead, with all updates, configurations, and cluster operations handled by Schrödinger Solution Architects.
  • High-level data protection, including penetration testing, automated security scanning, and adherence to cloud security best practices.
  • Full compatibility with leading cloud providers such as Google Cloud, AWS, and Microsoft Azure.

By combining the precision of Schrödinger’s modeling suite with the accessibility of cloud computing, the Virtual Station enables complex quantum-mechanical and molecular simulations to be performed directly from a web browser.