MolSSI Software Fellow: Dr. Giuseppe Barbalinardo

Giuseppe Barbalinardo, PhD, one of our 2019-2020 Fellows, earned his PhD in computational chemistry at UC Davis under the direction of Prof. Davide Donadio. He is currently working as a Senior Data Scientist at Tonal, a tech company in San Francisco. Under MolSSI support, Giuseppe worked with MolSSI Software Scientist Dr. Doaa Altarway on the development of an open […]

The NSF Has Renewed the MolSSI!

We are pleased to announce that the NSF has renewed its support for the Molecular Sciences Software Institute for another five years! Since its launch in 2016, the MolSSI has served as a nexus for the broad computational molecular sciences community by providing software expertise, community engagement and leadership, and education and training. Through a broad array […]

MolSSI Software Fellow: Matthew Chan

Matthew Chan, a 2021-A Seed Software Fellow, is currently a chemical and biomolecular engineering graduate student in Prof. Diwaker Shukla’s research group at the University of Illinois at Urbana-Champaign.  Under MolSSI support, Matthew worked with MolSSI Software Scientists Dr. Doaa Altarawy and Dr. Sina Mostafanejad to create a model using transfer learning that can decode the sequence, structure, and function of […]

MolSSI Workshop on HPC in Computational Chemistry and Materials Science

This fully virtual workshop will focus on parallel programming models and algorithms used in or beneficial to our community, as well as recent success stories in codes and methods development for advanced simulations in our field. One key objective of the workshop is to improve and develop the skill-sets of the next-generation of computational chemistry […]

2021 Interoperability Workshop

In 2017, the MolSSI held an Interoperability Workshop during which we asked the community to clarify current needs for interoperability among computational molecular sciences (CMS) codes.  We have spent the past four years diligently working towards general solutions to these complex problems, and are excited to announce that several MolSSI interoperability projects are ready for […]

2021-B Software Fellowship Competition is Now Open!

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the latest Software Fellowship competition for Seed Fellowships only (for July-December 2021 funding). These prestigious six-month Fellowships recognize advanced graduate students and postdocs pursuing the development of software infrastructure, middleware, and frameworks that will benefit the broader field of computational molecular sciences, including biomolecular and […]

MolSSI Software Fellow: Dr. Marc Riera Riambau

Marc Riera Riambau, PhD, one of our 2018/2019 Seed and Investment Fellows, earned his PhD in computational chemistry at UC San Diego under the direction of Prof. Francesco Paesani. He is currently working as a postdoc at UCSD toward the development of a molecular dynamics package that will enable simulations using extremely accurate potential energy surfaces.  […]

MolSSI Software Fellow: Caitlin C. Bannan

Dr. Caitlin C. Bannan, one of our former MolSSI Software Seed and Investment Fellows, is currently a Scientific Developer at OpenEye Scientific Software in New Mexico. She earned her PhD at UC Irvine with Prof. David Mobley. Her experience focuses on improving computational methods for small molecule drug design with expertise in alchemical free energy calculations, machine learning […]

MolSSI Software Fellow: Bradley Dice

Bradley Dice, one of our current MolSSI Software Investment Fellows, is now completing his PhD in Physics and Scientific Computing at the University of Michigan with Prof. Sharon C. Glotzer, who is a former member of our Sciences and Software Advisory Board (SSAB)!  Bradley is working with Dr. Doaa Altarawy on developing powerful parallel analysis tools […]

MolSSI Software Fellow Alum: Dr. João Rodrigues

Dr. João Rodrigues, one of our former MolSSI Software Seed Fellows, is now a Senior Scientist at Schrodinger. While a 2020 MolSSI Seed Fellow, João worked with MolSSI Software Scientist Dr. Levi Naden on developing an open-source library to characterize the chemistry and energetics of protein interfaces. How did you first become interested in molecular […]