News & EventsCurrent & Upcoming

MolSSI Software Fellow Webinar: Molecular simulation control and extension with gmxapi for GROMACS

MolSSI Software Fellow Webinar: Molecular simulation control and extension with gmxapi for GROMACS

A webinar by MolSSI Software Fellow Dr. Eric Irrgang on the gmxapi framework for molecular simulation.

School on Stochastic Approaches to Electronic Structure Calculations

School on Stochastic Approaches to Electronic Structure Calculations

A school targeted for graduate students doing research in electronic theory as well as postdoctoral fellows and faculty at undergraduate institutions interested in learning about stochastic electronic structure methods.

First 2019 Software Fellowship Competition Now Open!

First 2019 Software Fellowship Competition Now Open!

The Molecular Sciences Software Institute (MolSSI) is pleased to announce the third Software Fellowship competition and the second compeition of 2018.

Congratulations to the 2018 Phase-II MolSSI Software Fellows!

Congratulations to the 2018 Phase-II MolSSI Software Fellows!

The MolSSI Board of Directors is pleased to announce that the Science and Software Advisory Board has chosen these Phase-I

The Road Less Traveled: Psi4NumPy

The Road Less Traveled: Psi4NumPy

Being an interdisciplinary organization, we have the pleasure of watching our scientists succeed as part of The MolSSI and within

Congratulations to the 2018 Phase-I MolSSI Software Fellows!

Congratulations to the 2018 Phase-I MolSSI Software Fellows!

After reviewing nearly 50 impressive applications, the MolSSI Board of Directors is pleased to announce that the Science and Software

Summer School and Workshop Parallel Computing in Molecular Sciences

Summer School and Workshop  Parallel Computing in Molecular Sciences

A workshop to develop high-performance parallel computing skills on the computing architectures of today and tomorrow.

MolSSI/Tapia Center Webinar: Dr. Doaa Altarawy

MolSSI/Tapia Center Webinar: Dr. Doaa Altarawy

The Richard E. Tapia Center for Excellence and Equity at Rice University is sponsoring a webinar featuring MolSSI Software Scientist,


News & EventsPast

MolSSI Workshop for SSE/SSI PIs

MolSSI Workshop for SSE/SSI PIs

A workshop focused on PIs of current SSE/SSI projects that are relevant to the computational molecular sciences.

MolSSI/Tapia Center Webinar: Dr. Eliseo Marin-Rimoldi

MolSSI/Tapia Center Webinar: Dr. Eliseo Marin-Rimoldi

In this special webinar, Dr. Marin-Rimoldi will discuss how classical molecular simulations can be applied to obtain phase equilibria properties of novel systems with special emphasis on Monte Carlo simulations.

MolSSI/Tapia Center Webinar: Dr. Daniel Smith

MolSSI/Tapia Center Webinar: Dr. Daniel Smith

The Richard E. Tapia Center for Excellence and Equity at Rice University sponsored a webinar featuring MolSSI Software Scientist, Dr. Daniel Smith, on Thursday, March 22nd, at 4:00pm EDT.

MolSSI Workshop on Modular Software Infrastructure for Excited State Dynamics

MolSSI Workshop on Modular Software Infrastructure for Excited State  Dynamics

Organizer: Prof. Alexey Akimov Location: University at Buffalo, Buffalo, NY Dates: 8-11 June 2018 The workshop brought together quantum chemistry

MolSSI/Science Gateways Community Institute Workshop

MolSSI/Science Gateways Community Institute Workshop

A workshop focused on science gateways for the molecular sciences community.

Congratulations to the 2018 Phase-I MolSSI Software Fellows!

Congratulations to the 2018 Phase-I MolSSI Software Fellows!

The MolSSI Board of Directors is pleased to announce that the Science and Software Advisory Board has chosen the winners

MolSSI Workshop: Computational Materials Science

MolSSI Workshop: Computational Materials Science

Dates: February 2 – 3, 2017  Organizers: Teresa Head-Gordon (U.C. Berkeley and MolSSI), Steve Louie (U.C. Berkeley), and Jeff Neaton

MolSSI Workshop: Biomolecular Workflows

MolSSI Workshop: Biomolecular Workflows

Date: September 12th-13th, 2017  Organizers: Prof. T Daniel Crawford (MolSSI), Dr. Daniel G. A. Smith (MolSSI), Dr. Aaron Virshup (Autodesk),