Différences entre les versions de « Charmm-Tinker meeting »

De Workshops
Aller à la navigation Aller à la recherche
 
(43 versions intermédiaires par le même utilisateur non affichées)
Ligne 20 : Ligne 20 :
 
<br>
 
<br>
 
'''Schedule:'''<br>
 
'''Schedule:'''<br>
Tuesday 18th of July 2019 (Charmm/Tinker) – Salle Auditorium C F JACOB RdC 17c<br>
+
Tuesday 18th of July 2019 (Charmm/Tinker) – Salle Auditorium C F JACOB RdC 17c (building 26)c<br>
 
==========================<br>
 
==========================<br>
08h15 Breakfast - OMICS YERSIN 24 RdC<br>
+
08h15 Breakfast - (F. Jacob auditorium antichamber)<br>
 
08h50 - Scientific Talks -<br>
 
08h50 - Scientific Talks -<br>
10h30 Coffee break - OMICS YERSIN 24 RdC<br>
+
10h30 Coffee break - (F. Jacob auditorium antichamber)<br>
 
11h00 - Scientific Talks -<br>
 
11h00 - Scientific Talks -<br>
 
12h30 Lunch – OMICS YERSIN 24 RdC<br>
 
12h30 Lunch – OMICS YERSIN 24 RdC<br>
 
14h00 - Scientific Talks -<br>
 
14h00 - Scientific Talks -<br>
15h30 Coffee break - – OMICS YERSIN 24 RdC<br>
+
15h30 Coffee break - – (F. Jacob auditorium antichamber)<br>
 
16h00 - Scientific Talks -<br>
 
16h00 - Scientific Talks -<br>
 
17h30 End of session<br>
 
17h30 End of session<br>
 
<br>
 
<br>
Friday 19th of July 2019 (Charmm/Tinker) - Salle Auditorium C F JACOB RdC 17c<br>
+
Friday 19th of July 2019 (Charmm/Tinker) - Salle Auditorium C F JACOB RdC 17c (building 26)<br>
 
========================<br>
 
========================<br>
08h15 Breakfast - – OMICS YERSIN 24 RdC<br>
+
08h15 Breakfast - – (F. Jacob auditorium antichamber)<br>
 
08h50 - Scientific Talks -<br>
 
08h50 - Scientific Talks -<br>
10h30 Coffee break - – OMICS YERSIN 24 RdC<br>
+
10h30 Coffee break - – (F. Jacob auditorium antichamber)<br>
 
11h00 - Scientific Talks -<br>
 
11h00 - Scientific Talks -<br>
 
12h30 Lunch - OMICS YERSIN 24 RdC<br>
 
12h30 Lunch - OMICS YERSIN 24 RdC<br>
 
14h00 - Scientific Talks -<br>
 
14h00 - Scientific Talks -<br>
15h30 Coffee break - – OMICS YERSIN 24 RdC<br>
+
15h30 Coffee break - – (F. Jacob auditorium antichamber)<br>
 
16h00 - Scientific Talks -<br>
 
16h00 - Scientific Talks -<br>
 
17h30 End of session<br>
 
17h30 End of session<br>
  
Saturday 20th of July 2019 (Charmm/Tinker) - Salle Auditorium C F JACOB RdC 17c<br>
+
Saturday 20th of July 2019 (Charmm/Tinker) - Salle Auditorium C F JACOB RdC 17c (building 26)<br>
 
==========================<br>
 
==========================<br>
08h15 Breakfast - – OMICS YERSIN 24 RdC<br>
+
08h15 Breakfast - – (F. Jacob auditorium antichamber)<br>
 
08h50 - Scientific Talks -<br>
 
08h50 - Scientific Talks -<br>
10h30 Coffee break - – OMICS YERSIN 24 RdC <br>
+
10h30 Coffee break - – (F. Jacob auditorium antichamber)<br>
 
11h00 - Scientific Talks -<br>
 
11h00 - Scientific Talks -<br>
 
12h30 Lunch - OMICS YERSIN 24 RdC<br>
 
12h30 Lunch - OMICS YERSIN 24 RdC<br>
 
14h00 - Scientific Talks -<br>
 
14h00 - Scientific Talks -<br>
15h30 Coffee break - – OMICS YERSIN 24 RdC<br>
+
15h30 Coffee break - – (F. Jacob auditorium antichamber)<br>
 
16h00 - Scientific Talks -<br>
 
16h00 - Scientific Talks -<br>
 
17h30 End of session<br>
 
17h30 End of session<br>
 
<br>
 
<br>
 
+
***<br>
 +
CHARMM only session, the Tinker meeting continues at Sorbonne Université: see below)<br>
 +
Sunday 21st of July 2019 (Charmm Only) - Salle Auditorium C F JACOB RdC 17c (building 26)<br>
 +
========================<br>
 +
08h15 Breakfast <br>
 +
08h50 - Development Talks <br>
 +
10h00 Coffee break <br>
 +
10h30 - Development Talks <br>
 +
12h00 End of session<br>
 +
***<br>
 +
<br>
 
* '''Important information concerning the Pasteur Institute: Attendee list'''.
 
* '''Important information concerning the Pasteur Institute: Attendee list'''.
Security in Pasteur is strict (Sorry for that !). You will need to leave an ID at the entrance.We will have to provide an as accurate as possible list of attendees.<br>
+
Security in Pasteur is strict (Sorry for that !). You will need to leave an ID at the entrance.We will have to provide an as accurate as possible list of attendees. Talks are in building 26 (see map) <br>
 
[[Image:Pasteur2.jpg|350px]]
 
[[Image:Pasteur2.jpg|350px]]
  
Ligne 68 : Ligne 78 :
 
<br>
 
<br>
 
Location: Sorbonne Université, 4 place Jussieu, 75005, Paris, France <br>
 
Location: Sorbonne Université, 4 place Jussieu, 75005, Paris, France <br>
'''Organisers: Jay Ponder (WashU), Pengyu Ren (UT Austin) Jean-Philip Piquemal (Sorbonne Univ).'''<br>
+
'''Organisers: Jay Ponder (WashU), Pengyu Ren (UT Austin), Jean-Philip Piquemal (Sorbonne Univ).'''<br>
 
<br>
 
<br>
 
The workshop with be held at the Laboratoire Jacques Louis Lions (LJLL) in the mathematics department tower 15-16, 3rd floor, room 309<br>
 
The workshop with be held at the Laboratoire Jacques Louis Lions (LJLL) in the mathematics department tower 15-16, 3rd floor, room 309<br>
 
'''Access to Sorbonne Université''': Metro line 7, Jussieu station, the exit will put you just in front of the campus (see map)<br>
 
'''Access to Sorbonne Université''': Metro line 7, Jussieu station, the exit will put you just in front of the campus (see map)<br>
[[Image:Jussieu.jpg|350px]]<br>
+
 
'''Schedule'''<br>
+
'''Schedule''' (FINAL version of the schedule [[Media: Tinker2019d.pdf]])<br>
 
Sunday 21th of July 2019 (Tinker) – tower 15-16, 3rd floor, room 309<Br>
 
Sunday 21th of July 2019 (Tinker) – tower 15-16, 3rd floor, room 309<Br>
 
==========================<br>
 
==========================<br>
08h15 Breakfast - <br>
+
09h00 Breakfast - <br>
08h50 - Scientific Tal<br>
+
09h30 - Scientific Talks<br>
 
12h30 Lunch -<br>
 
12h30 Lunch -<br>
 
14h00 - Scientific Talks -<br>
 
14h00 - Scientific Talks -<br>
Ligne 85 : Ligne 95 :
 
Monday 22th of July 2019 (Tinker) – tower 15-16, 3rd floor, room 309<br>
 
Monday 22th of July 2019 (Tinker) – tower 15-16, 3rd floor, room 309<br>
 
==========================<br>
 
==========================<br>
08h15 Breakfast - <br>
+
09h00 Breakfast - <br>
08h50 - Scientific Tal<br>
+
09h30 - Scientific Talks<br>
 
12h30 Lunch -<br>
 
12h30 Lunch -<br>
 
14h00 - Scientific Talks -<br>
 
14h00 - Scientific Talks -<br>
 
17h30 End of session<br>
 
17h30 End of session<br>
 
          
 
          
 
+
'''Access to Sorbonne Université''': Metro line 7, Jussieu station, the exit will put you just in front of the campus (see map)<br>
 +
<br>
 +
[[Image:Jussieu.jpg|350px]]<br>
 +
<br>
 
'''Hotels and lodging'''<br>
 
'''Hotels and lodging'''<br>
 
Many possibilities are offered in Paris (including AirB&B, somewhat cheaper) but we recommend to take into consideration that there will be 2 sites. <br>
 
Many possibilities are offered in Paris (including AirB&B, somewhat cheaper) but we recommend to take into consideration that there will be 2 sites. <br>
Ligne 109 : Ligne 122 :
  
 
'''Participants'''<br>
 
'''Participants'''<br>
 +
 +
[[File:CharmmTinker.jpg|850px]]
 +
  
 
'''Tinker'''<br>
 
'''Tinker'''<br>
G. Beran UC Riverside<br>
+
Olivier Adjoua, Sorbonne Université<br>
E. Cancès ENPC<br>
+
Félix Aviat, Sorbonne Université<br>
G. A. Cisneros UNT<br>
+
Greg Beran, UC Riverside<br>
C. Clavaguera Paris Saclay<br>
+
Benjamin Boyer, CNAM<br>
P. Eastman Standford<br>
+
Eric Cancès, ENPC<br>
N. Gresh Sorbonne Université<br>
+
Frederic Célerse, Sorbonne Université<br>
J. Henin IBPC/CNRS<br>
+
Sara Cheng, UC Berkeley<br>
F. Hedin INRIA<br>
+
G. Andrés Cisneros, UNT<br>
W. Jorgensen Yale University<br>
+
Carinne Clavaguera, Paris Saclay<br>
L. H. Jolly Sorbonne Université<br>
+
Roseane dos Reis Silva, WashU<br>
J. Harvey Leuwen University<br>
+
Peter Eastman, Standford<br>
T. Head-Gordon Berkeley<br>
+
Nohad Gresh,Sorbonne Université<br>
L. Lagardère Sorbonne Université<br>
+
Jérome Henin, IBPC/CNRS<br>
T. Lelièvre ENCPC<br>
+
Florent Hedin, INRIA<br>
A. Levitt INRIA<br>
+
William Jorgensen, Yale University<br>
Y. Maday Sorbonne Université<br>
+
Luc-Henri Jolly, Sorbonne Université<br>
A. Misquitta Queen Mary London<br>
+
Jeremy Harvey, Leuwen University<br>
M. Montés CNAM<br>
+
Teresa Head-Gordon, UC Berkeley<br>
P. Monmarché   Sorbonne Université<br>
+
Zhifeng Jing, UT Austin<br>
P. Nerenberg California State Univ. LA<br>
+
Louis Lagardère, Sorbonne Université<br>
F. Paesani UCSD<br>
+
Marie Laury, WashU<br>
J. W Ponder WashU<br>
+
Antoine Levitt, INRIA<br>
J.-P. Piquemal Sorbonne Université<br>
+
Filippo Lipparini, Universita di Pisa<br>
P. Ren         UT Austin<br>
+
Jacob Litman, University of Iowa<br>
J. Rice         IBM<br>
+
Daniele Loco, Sorbonne Université<br>
M. Schnieders University of Iowa<br>
+
Yvon Maday, Sorbonne Université<br>
Y. Shao         University of Oklahoma<br>
+
Nastasia Mauger, Sorbonne Université<br>
B. Stamm Aachen Univeristy<br>
+
Maxime Maria, Université de Limoges<br>
W. Swope IBM<br>
+
Lise Maurin, Sorbonne Université<br>
J. Tirado-Rives Yale University<br>
+
Aleksandr Mikhalev, Aachen<br>
M. Tuckerman NYU<br>
+
Alston Misquitta, Queen Mary London<br>
Sameer Varma   USF<br>
+
Matthieu Montés, CNAM<br>
Guowei Wei Michigan State University<br>
+
Pierre Monmarché, Sorbonne Université<br>
Matthew Harger UT AUstin<br>
+
Sehr Naseem-Kahn, UNT<br>
Zhifeng Jing UT Austin<br>
+
Francesco Paesani, UCSD<br>
Brandon Walker UT Austin<br>
+
Jay W Ponder, WashU<br>
Chengwen Liu UT Austin<br>
+
Jean-Philip Piquemal, Sorbonne Université<br>
Aviat Sorbonne Université<br>
+
Josh Rackers, WashU<br>
Celerse Sorbonne Université<br>
+
Pengyu Ren, UT Austin<br>
Loco Sorbonne Université<br>
+
Julia Rice, IBM<br>
Josh Rackers WashU<br>
+
Michael Schnieders, University of Iowa<br>
Zhi Wang WashU<br>
+
Benjamin Stamm, Aachen Univeristy<br>
Marie Laury WashU<br>
+
William Swope, IBM<br>
Roseane dos Reis Silva WashU<br>
+
Julian Tirado-Rives, Yale University<br>
 +
Marllory Tollefson, University of Iowa<br>
 +
Mark Tuckerman, NYU<br>
 +
Sameer Varma, USF<br>
 +
Brandon Walker, UT Austin<br>
 +
Zhi Wang, WashU<br>
 +
Jérémy Weisman, Sorbonne Université<br>
 +
 
  
 
'''Charmm'''<br>
 
'''Charmm'''<br>
Martin Karplus, Harvard University <br>  
+
Martin Karplus, Harvard University<br>
Ioan Andricioaei<br>
+
Ioan Andricioaei, University of California, Irvine<br>
Georgios Archontis <br>
+
Arnaud Blondel, Insitut Pasteur<br>
Robert Best <br>
+
Stefan Boresch, Universitat Wien<br>
Arnaud Blondel, Insitut Pasteur <br>
+
Bernie Brooks, NIH<br>
Stefan Boresch <br>
+
Charles L. Brooks III, University of Michigan<br>
Bernie Brooks, NIH <br>
+
Josh Buckner, University of Michigan<br>
Charles L. Brooks III<br>
+
Mike Crowley, National Renewable Energy Laboratory<br>
Matthias Buck<br>  
+
Qiang Cui, Boston University<br>
Josh Buckner <br>
+
Michael Feig, Michigan State University<br>
Amedeo Caflisch <br>
+
Jiali Gao, University of Minnesota<br>
Mike Crowley <br>
+
Sergio Hassan, NIH<br>
Qiang Cui <br>
+
Milan Hodoscek, National Institute of Chemistry, Slovenia<br>
AAron Dinner <br>
+
Wonmuk Hwang, Texas A&M University Engineering<br>
Michael Feig <br>
+
Toshiko Ichiye, Georgetown University<br>
Jiali Gao <br>
+
Wonpil Im, Lehigh University<br>
Sergio Hassan <br>
+
Fabrice Leclerc, CNRS/Université Paris-Saclay<br>
Milan Hodoscek <br>
+
Themis Lazaridis, The City College of New York<br>
Wonmuk Hwang <br>
+
Jianpeng Ma, Rice University<br>
Toshiko Ichiye <br>
+
Alex D. Mackerell, University of Maryland<br>
Wonpil Im <br>
+
Markus Meuwly, Basel University<br>
Fabrice LECLERC<br>  
+
Lennart Nilsson, Karolinska Institutet<br>
Themis Lazaridis <br>
+
Kwangho Nam, UT Arlington<br>
Jianpeng Ma <br>
+
Victor Ovchinnikov, Harvard University<br>
Alex D. Mackerell, University of Maryland <br>
+
Emanuel Paci, University of Leeds<br>
Markus Meuwly, Basel University <br>
+
Richard Pastor, NIH<br>
Lennart Nilsson <br>
+
David Perahia, ENS Saclay<br>
Kwangho Nam <br>
+
Carol Post, Purdue University<br>
Victor Ovchinnikov<br>  
+
Jingzhi Pu, IUPUI<br>
Emanuel Paci <br>
+
Daniel R. Roe, NHLBI/NIH<br>
Richard Pastor <br>
+
Benoit Roux, University of Chicago<br>
David Perahia, ENS Saclay <br>
+
Jana Shen, University of Maryland<br>
Carol Post <br>
+
Andy Simmonett, NIH<br>
Jingzhi Pu <br>
+
Thomas Simonson, Ecole Polytechnique<br>
Daniel R. Roe <br>
+
Christian Schroeder, Universitat Wien<br>
Benoit Roux, Univeristy of Chicago <br>
+
Lee H. Woodcock, University of South Florida<br>
Jana Shen <br>
+
Xiongwu Wu, NHLBI/NIH<br>
Andy Simmonett, NIH<br>  
+
Wei Yang, Florida State University<br>
Thomas Simonson, Ecole Polytechnique <br>
 
Arjan van Vaart<br>
 
Richard Venable <br>
 
Youngdo Won <br>
 
Lee H. Woodcock <br>
 
Tom Woolf <br>
 
Xiongwu Wu <br>
 
Wei Yang, Florida State University <br>
 
 
Darrin York, Rutgers University <br>
 
Darrin York, Rutgers University <br>
 +
 +
'''
 +
 +
== Funding ==
 +
'''
 +
 +
Funding from the Institut des sciences du calcul et des données @Sorbonne Université and from the Institut Universitaire de France is acknowledged (http://iscd.upmc.fr/) <br>
 +
[[Image:logo_ISCD.jpg|350px]][[Image:iuf.jpg|350px]]

Dernière version du 21 juillet 2019 à 08:54

2019 Tinker meeting including the joint Charmm-Tinker meeting

TINKER.jpg Charmm.jpg


This year the Tinker meeting will be held in Paris and will be organized in two parts. First, a joint meeting with the Charmm community will be held at the Pasteur Institute . It will be followed by a 2-day Tinker workshop held at Sorbonne Université.


Dates & location
The whole meeting will be run from thursday july 18th to monday july 22th. Be careful, for the Tinker community, the meeting starts at the Pasteur Institute and then moves to Sorbonne Université. A specific Charmm session is organized on sunday for the Charmm community (please contact Arnaud Blondel for details).

'First part: joint Chamm-Tinker meeting'
Location: Institut Pasteur, 28 Rue du Dr Roux, Paris, France
Organisers: Martin Karplus (Harvard), Jay Ponder (WashU), Jean-Philip Piquemal (Sorbonne Univ), Arnaud Blondel (Pasteur).

These 3 days will gather together the Charmm and Tinker communities to share new ideas and foster scientific collaboration.

Schedule:
Tuesday 18th of July 2019 (Charmm/Tinker) – Salle Auditorium C F JACOB RdC 17c (building 26)c
==========================
08h15 Breakfast - (F. Jacob auditorium antichamber)
08h50 - Scientific Talks -
10h30 Coffee break - (F. Jacob auditorium antichamber)
11h00 - Scientific Talks -
12h30 Lunch – OMICS YERSIN 24 RdC
14h00 - Scientific Talks -
15h30 Coffee break - – (F. Jacob auditorium antichamber)
16h00 - Scientific Talks -
17h30 End of session

Friday 19th of July 2019 (Charmm/Tinker) - Salle Auditorium C F JACOB RdC 17c (building 26)
========================
08h15 Breakfast - – (F. Jacob auditorium antichamber)
08h50 - Scientific Talks -
10h30 Coffee break - – (F. Jacob auditorium antichamber)
11h00 - Scientific Talks -
12h30 Lunch - OMICS YERSIN 24 RdC
14h00 - Scientific Talks -
15h30 Coffee break - – (F. Jacob auditorium antichamber)
16h00 - Scientific Talks -
17h30 End of session

Saturday 20th of July 2019 (Charmm/Tinker) - Salle Auditorium C F JACOB RdC 17c (building 26)
==========================
08h15 Breakfast - – (F. Jacob auditorium antichamber)
08h50 - Scientific Talks -
10h30 Coffee break - – (F. Jacob auditorium antichamber)
11h00 - Scientific Talks -
12h30 Lunch - OMICS YERSIN 24 RdC
14h00 - Scientific Talks -
15h30 Coffee break - – (F. Jacob auditorium antichamber)
16h00 - Scientific Talks -
17h30 End of session


CHARMM only session, the Tinker meeting continues at Sorbonne Université: see below)
Sunday 21st of July 2019 (Charmm Only) - Salle Auditorium C F JACOB RdC 17c (building 26)
========================
08h15 Breakfast
08h50 - Development Talks
10h00 Coffee break
10h30 - Development Talks
12h00 End of session



  • Important information concerning the Pasteur Institute: Attendee list.

Security in Pasteur is strict (Sorry for that !). You will need to leave an ID at the entrance.We will have to provide an as accurate as possible list of attendees. Talks are in building 26 (see map)
Pasteur2.jpg

  • Access to Pasteur from the airport

Of course you can use, Taxis/Ubers, Public transportation can also be an option from Paris-CDG (RER_B + Line 6, Buses), and should not be "impossible" to implement with ~10 min walk at the arrival (may need GPS or map).


'Second part: Tinker meeting'
Location: Sorbonne Université, 4 place Jussieu, 75005, Paris, France
Organisers: Jay Ponder (WashU), Pengyu Ren (UT Austin), Jean-Philip Piquemal (Sorbonne Univ).

The workshop with be held at the Laboratoire Jacques Louis Lions (LJLL) in the mathematics department tower 15-16, 3rd floor, room 309
Access to Sorbonne Université: Metro line 7, Jussieu station, the exit will put you just in front of the campus (see map)

Schedule (FINAL version of the schedule Media: Tinker2019d.pdf)
Sunday 21th of July 2019 (Tinker) – tower 15-16, 3rd floor, room 309
==========================
09h00 Breakfast -
09h30 - Scientific Talks
12h30 Lunch -
14h00 - Scientific Talks -
17h30 End of session
19h Tinker Dinner at l'Atelier Maitre Albert restaurant https://www.ateliermaitrealbert.com/

Monday 22th of July 2019 (Tinker) – tower 15-16, 3rd floor, room 309
==========================
09h00 Breakfast -
09h30 - Scientific Talks
12h30 Lunch -
14h00 - Scientific Talks -
17h30 End of session

Access to Sorbonne Université: Metro line 7, Jussieu station, the exit will put you just in front of the campus (see map)

Jussieu.jpg

Hotels and lodging
Many possibilities are offered in Paris (including AirB&B, somewhat cheaper) but we recommend to take into consideration that there will be 2 sites.

  • For the hotel around the Pasteur Institute, we suggests two hotels (ABEROTEL and Hotel_Concorde_Montparnasse, but there are many other places in the vicinity, of course):

o the ABEROTEL (https://aberotelparishotel.com). It is the closest (600 meters, 8mn walk to Pasteur for google),It is old fashioned, rooms are cozy but all different and not necessarily large. There is no elevator, breakfast is served downstairs (-1) if you wish. Number of room is limited. Prices should be around 120 Euros/day.
o Hotel Concorde Montparnasse (http://www.hotel-montparnasse.com) is a big modern hotel, all comfort, many rooms.It is a bit farther (1 km, 14mn walk according to google).Prices should be around 150 Euros/day. You probably have better rates through booking.com or other online booking web services than calling to the hotel.

  • For the hotel around the Sorbonne Université, we suggests two hotels (Hôtel Libertel Austerlitz Jardin des Plantes and Timhotel-Jardin des plantes, all at walking distance and with reasonable prices but there are many other places in the vicinity, of course):

o Hôtel Libertel Austerlitz Jardin des Plantes (http://www.libertel-austerlitz-jardin-des-plantes.com/)
o Timhotel-Jardin des plantes https://www.guestreservations.com/timhotel-jardin-des-plantes/booking


Participants

CharmmTinker.jpg


Tinker
Olivier Adjoua, Sorbonne Université
Félix Aviat, Sorbonne Université
Greg Beran, UC Riverside
Benjamin Boyer, CNAM
Eric Cancès, ENPC
Frederic Célerse, Sorbonne Université
Sara Cheng, UC Berkeley
G. Andrés Cisneros, UNT
Carinne Clavaguera, Paris Saclay
Roseane dos Reis Silva, WashU
Peter Eastman, Standford
Nohad Gresh,Sorbonne Université
Jérome Henin, IBPC/CNRS
Florent Hedin, INRIA
William Jorgensen, Yale University
Luc-Henri Jolly, Sorbonne Université
Jeremy Harvey, Leuwen University
Teresa Head-Gordon, UC Berkeley
Zhifeng Jing, UT Austin
Louis Lagardère, Sorbonne Université
Marie Laury, WashU
Antoine Levitt, INRIA
Filippo Lipparini, Universita di Pisa
Jacob Litman, University of Iowa
Daniele Loco, Sorbonne Université
Yvon Maday, Sorbonne Université
Nastasia Mauger, Sorbonne Université
Maxime Maria, Université de Limoges
Lise Maurin, Sorbonne Université
Aleksandr Mikhalev, Aachen
Alston Misquitta, Queen Mary London
Matthieu Montés, CNAM
Pierre Monmarché, Sorbonne Université
Sehr Naseem-Kahn, UNT
Francesco Paesani, UCSD
Jay W Ponder, WashU
Jean-Philip Piquemal, Sorbonne Université
Josh Rackers, WashU
Pengyu Ren, UT Austin
Julia Rice, IBM
Michael Schnieders, University of Iowa
Benjamin Stamm, Aachen Univeristy
William Swope, IBM
Julian Tirado-Rives, Yale University
Marllory Tollefson, University of Iowa
Mark Tuckerman, NYU
Sameer Varma, USF
Brandon Walker, UT Austin
Zhi Wang, WashU
Jérémy Weisman, Sorbonne Université


Charmm
Martin Karplus, Harvard University
Ioan Andricioaei, University of California, Irvine
Arnaud Blondel, Insitut Pasteur
Stefan Boresch, Universitat Wien
Bernie Brooks, NIH
Charles L. Brooks III, University of Michigan
Josh Buckner, University of Michigan
Mike Crowley, National Renewable Energy Laboratory
Qiang Cui, Boston University
Michael Feig, Michigan State University
Jiali Gao, University of Minnesota
Sergio Hassan, NIH
Milan Hodoscek, National Institute of Chemistry, Slovenia
Wonmuk Hwang, Texas A&M University Engineering
Toshiko Ichiye, Georgetown University
Wonpil Im, Lehigh University
Fabrice Leclerc, CNRS/Université Paris-Saclay
Themis Lazaridis, The City College of New York
Jianpeng Ma, Rice University
Alex D. Mackerell, University of Maryland
Markus Meuwly, Basel University
Lennart Nilsson, Karolinska Institutet
Kwangho Nam, UT Arlington
Victor Ovchinnikov, Harvard University
Emanuel Paci, University of Leeds
Richard Pastor, NIH
David Perahia, ENS Saclay
Carol Post, Purdue University
Jingzhi Pu, IUPUI
Daniel R. Roe, NHLBI/NIH
Benoit Roux, University of Chicago
Jana Shen, University of Maryland
Andy Simmonett, NIH
Thomas Simonson, Ecole Polytechnique
Christian Schroeder, Universitat Wien
Lee H. Woodcock, University of South Florida
Xiongwu Wu, NHLBI/NIH
Wei Yang, Florida State University
Darrin York, Rutgers University

Funding

Funding from the Institut des sciences du calcul et des données @Sorbonne Université and from the Institut Universitaire de France is acknowledged (http://iscd.upmc.fr/)
Logo ISCD.jpgIuf.jpg