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This is the public discussion list for FEASST: Free Energy and Advanced Sampling Simulation Toolkit (https://doi.org/10.18434/M3S095). Messages cannot contain any sensitive or proprietary information.

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harold...@nist.gov

10/23/24

FEASST at AIChE '24 or ACS '25 Spring / Fall

In case anyone is available and interested to discuss FEASST with me in person, I hope to attend/

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FEASST at AIChE '24 or ACS '25 Spring / Fall

In case anyone is available and interested to discuss FEASST with me in person, I hope to attend/

10/23/24

harold...@nist.gov2

10/23/24

FEASST v0.25.1 may be featured in a software article soon

The recent FEASST manuscript was published here: https://doi.org/10.1063/5.0224283 On Monday, July 29

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FEASST v0.25.1 may be featured in a software article soon

The recent FEASST manuscript was published here: https://doi.org/10.1063/5.0224283 On Monday, July 29

10/23/24

harold...@nist.gov

11/6/22

Questions and answers regarding FEASST

Most users contact me directly, but I thought I would include my answers to some questions that may

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Questions and answers regarding FEASST

Most users contact me directly, but I thought I would include my answers to some questions that may

11/6/22

harold...@nist.gov

11/6/22

FEASST at AIChE Annual Meeting 2022

FEASST will be featured in a presentation at the AIChE Annual meeting. Session: Software Engineering

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FEASST at AIChE Annual Meeting 2022

FEASST will be featured in a presentation at the AIChE Annual meeting. Session: Software Engineering

11/6/22

10/24/19

Major FEASST update

FEASST version 0.8 is a completely new rewrite of the code and was recently pushed to the public

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Major FEASST update

FEASST version 0.8 is a completely new rewrite of the code and was recently pushed to the public

10/24/19

10/11/19

FEASST workshop at AIChE 2019 Annual Meeting in Orlando

FEASST will be included in the AIChE workshop "W5: CoMSEF Workshop: Hands-On with Molecular

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FEASST workshop at AIChE 2019 Annual Meeting in Orlando

FEASST will be included in the AIChE workshop "W5: CoMSEF Workshop: Hands-On with Molecular

10/11/19

harold...@nist.gov

2/26/19

FEASST at simSAS 2019 CECAM Workshop

I will be presenting on "Simulations of concentrated solutions of monoclonal antibodies and

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FEASST at simSAS 2019 CECAM Workshop

I will be presenting on "Simulations of concentrated solutions of monoclonal antibodies and

2/26/19

harold...@nist.gov

2/26/19

FEASST at ACS Orlando 2019

I will be presenting on "Improving reproducibility of molecular simulations with reference data

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FEASST at ACS Orlando 2019

I will be presenting on "Improving reproducibility of molecular simulations with reference data

2/26/19

9/28/18

FEASST at AIChE Annual Meeting 2018

I will present a poster at the AIChE Annual meeting in Pittsburgh, PA Session: Poster Session:

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FEASST at AIChE Annual Meeting 2018

I will present a poster at the AIChE Annual meeting in Pittsburgh, PA Session: Poster Session:

9/28/18

harold...@nist.gov

7/9/18

Will be available to discuss FEASST at the FOMMS 2018 meeting.

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Will be available to discuss FEASST at the FOMMS 2018 meeting.

7/9/18

harold...@nist.gov

6/26/18

Software demonstration at the 20th Symposium on Thermophysical Properties

I will be presenting FEASST at the software demonstrations on 6/27 during the 20th Symposium on

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Software demonstration at the 20th Symposium on Thermophysical Properties

I will be presenting FEASST at the software demonstrations on 6/27 during the 20th Symposium on

6/26/18

6/5/18

Here is a test of the first message sent to the feasst email list. -- Harold Wickes Hatch, Ph.D.

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Here is a test of the first message sent to the feasst email list. -- Harold Wickes Hatch, Ph.D.

6/5/18