COMPASS

An interdisciplinary collaboration that convenes researchers working on molecular sampling, simulation and design.

About

By establishing a common intellectual space at the Flatiron Institute, the Collaboration On Molecular Physics and Sampling Strategies (COMPASS) actively fosters dialogue, exchange of ideas and methodological cross-pollination among researchers.

COMPASS includes researchers from the Center for Computational Biology, the Center for Computational Mathematics and the Initiative for Computational Catalysis and is organized around three interconnected focus areas:

  • to establish robust software infrastructure to enable and accelerate methodological innovation
  • to develop methods and approximations that reduce computational complexity while maintaining sufficient accuracy, including general problems like sampling and spatial and temporal coarse-graining
  • to deploy computational tools to advance biophysical experiments and accomplish concrete, real-world scientific objectives.

By strengthening connections across domains that share deep similarities, COMPASS aims to accelerate methodological innovation, reduce duplication of effort, and catalyze new scientific directions that would be difficult to achieve within individual groups alone.

People

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Pilar Cossio

Senior Research Scientist, Centers for Computational Biology and Mathematics

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Luke Evans

Associate Research Scientist, Center for Computational Mathematics

A portrait photo of Sonya Hanson.

Sonya Hanson

Research Scientist, Centers for Computational Biology and Mathematics

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Diego Kleiman

Flatiron Research Fellow, Center for Computational Biology

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Minhuan Li

Flatiron Research Fellow, Center for Computational Mathematics

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Mahsa Mofidi

Flatiron Research Fellow, Center for Computational Biology

Portrait photo of Vikram Mulligan

Vikram Mulligan

Research Scientist, Center for Computational Biology

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Anupam Anand Ojha

Flatiron Research Fellow, Center for Computational Biology

Portrait photo of Doug Renfrew

Douglas Renfrew

Research Scientist, Center for Computational Biology

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Chloe Renfro

Flatiron Research Fellow, Center for Computational Biology/Initiative for Computational Catalysis

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Jutta Rogal

Research Scientist, Initiative for Computational Catalysis

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Abhilash Sahoo

Associate Research Scientist, Center for Computational Biology

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Louis Smith

Flatiron Research Fellow, Center for Computational Biology

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Emil Thomasen

Flatiron Research Fellow, Center for Computational Mathematics

Software & Datasets

Flatiron Community

COMPASS Meeting

We meet on Tuesdays to discuss the latest findings, ideas, and collaborations.

Learn More
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