Différences entre les versions de « Charmm-Tinker meeting »
| (26 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 | + | Tuesday 18th of July 2019 (Charmm/Tinker) – Salle Auditorium C F JACOB RdC 17c (building 26)c<br> |
==========================<br> | ==========================<br> | ||
08h15 Breakfast - (F. Jacob auditorium antichamber)<br> | 08h15 Breakfast - (F. Jacob auditorium antichamber)<br> | ||
08h50 - Scientific Talks -<br> | 08h50 - Scientific Talks -<br> | ||
| − | 10h30 Coffee break - | + | 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 - – | + | 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 | + | Friday 19th of July 2019 (Charmm/Tinker) - Salle Auditorium C F JACOB RdC 17c (building 26)<br> |
========================<br> | ========================<br> | ||
08h15 Breakfast - – (F. Jacob auditorium antichamber)<br> | 08h15 Breakfast - – (F. Jacob auditorium antichamber)<br> | ||
08h50 - Scientific Talks -<br> | 08h50 - Scientific Talks -<br> | ||
| − | 10h30 Coffee break - – | + | 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 - – | + | 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 | + | Saturday 20th of July 2019 (Charmm/Tinker) - Salle Auditorium C F JACOB RdC 17c (building 26)<br> |
==========================<br> | ==========================<br> | ||
08h15 Breakfast - – (F. Jacob auditorium antichamber)<br> | 08h15 Breakfast - – (F. Jacob auditorium antichamber)<br> | ||
08h50 - Scientific Talks -<br> | 08h50 - Scientific Talks -<br> | ||
| − | 10h30 Coffee break - – | + | 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 - – | + | 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> | ||
| Ligne 58 : | Ligne 58 : | ||
***<br> | ***<br> | ||
CHARMM only session, the Tinker meeting continues at Sorbonne Université: see below)<br> | CHARMM only session, the Tinker meeting continues at Sorbonne Université: see below)<br> | ||
| − | Sunday 21st of July 2019 (Charmm Only) - Salle Auditorium C | + | Sunday 21st of July 2019 (Charmm Only) - Salle Auditorium C F JACOB RdC 17c (building 26)<br> |
========================<br> | ========================<br> | ||
08h15 Breakfast <br> | 08h15 Breakfast <br> | ||
| Ligne 68 : | Ligne 68 : | ||
<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 78 : | 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> | ||
| − | + | ||
| − | '''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> | ||
| − | + | 09h00 Breakfast - <br> | |
| − | + | 09h30 - Scientific Talks<br> | |
12h30 Lunch -<br> | 12h30 Lunch -<br> | ||
14h00 - Scientific Talks -<br> | 14h00 - Scientific Talks -<br> | ||
| Ligne 95 : | 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> | ||
| − | + | 09h00 Breakfast - <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 119 : | Ligne 122 : | ||
'''Participants'''<br> | '''Participants'''<br> | ||
| + | |||
| + | [[File:CharmmTinker.jpg|850px]] | ||
| + | |||
'''Tinker'''<br> | '''Tinker'''<br> | ||
| + | Olivier Adjoua, Sorbonne Université<br> | ||
| + | Félix Aviat, Sorbonne Université<br> | ||
Greg Beran, UC Riverside<br> | Greg Beran, UC Riverside<br> | ||
| − | + | Benjamin Boyer, CNAM<br> | |
| + | Eric Cancès, ENPC<br> | ||
| + | Frederic Célerse, Sorbonne Université<br> | ||
| + | Sara Cheng, UC Berkeley<br> | ||
G. Andrés Cisneros, UNT<br> | G. Andrés Cisneros, UNT<br> | ||
Carinne Clavaguera, Paris Saclay<br> | Carinne Clavaguera, Paris Saclay<br> | ||
| + | Roseane dos Reis Silva, WashU<br> | ||
Peter Eastman, Standford<br> | Peter Eastman, Standford<br> | ||
Nohad Gresh,Sorbonne Université<br> | Nohad Gresh,Sorbonne Université<br> | ||
| Ligne 132 : | Ligne 144 : | ||
Luc-Henri Jolly, Sorbonne Université<br> | Luc-Henri Jolly, Sorbonne Université<br> | ||
Jeremy Harvey, Leuwen University<br> | Jeremy Harvey, Leuwen University<br> | ||
| − | Teresa Head-Gordon, Berkeley<br> | + | Teresa Head-Gordon, UC Berkeley<br> |
| + | Zhifeng Jing, UT Austin<br> | ||
Louis Lagardère, Sorbonne Université<br> | Louis Lagardère, Sorbonne Université<br> | ||
| + | Marie Laury, WashU<br> | ||
Antoine Levitt, INRIA<br> | Antoine Levitt, INRIA<br> | ||
Filippo Lipparini, Universita di Pisa<br> | Filippo Lipparini, Universita di Pisa<br> | ||
| + | Jacob Litman, University of Iowa<br> | ||
| + | Daniele Loco, Sorbonne Université<br> | ||
Yvon Maday, Sorbonne Université<br> | Yvon Maday, Sorbonne Université<br> | ||
| + | Nastasia Mauger, Sorbonne Université<br> | ||
| + | Maxime Maria, Université de Limoges<br> | ||
| + | Lise Maurin, Sorbonne Université<br> | ||
Aleksandr Mikhalev, Aachen<br> | Aleksandr Mikhalev, Aachen<br> | ||
Alston Misquitta, Queen Mary London<br> | Alston Misquitta, Queen Mary London<br> | ||
| Ligne 142 : | Ligne 161 : | ||
Pierre Monmarché, Sorbonne Université<br> | Pierre Monmarché, Sorbonne Université<br> | ||
Sehr Naseem-Kahn, UNT<br> | Sehr Naseem-Kahn, UNT<br> | ||
| − | |||
Francesco Paesani, UCSD<br> | Francesco Paesani, UCSD<br> | ||
Jay W Ponder, WashU<br> | Jay W Ponder, WashU<br> | ||
Jean-Philip Piquemal, Sorbonne Université<br> | Jean-Philip Piquemal, Sorbonne Université<br> | ||
| + | Josh Rackers, WashU<br> | ||
Pengyu Ren, UT Austin<br> | Pengyu Ren, UT Austin<br> | ||
Julia Rice, IBM<br> | Julia Rice, IBM<br> | ||
| Ligne 152 : | Ligne 171 : | ||
William Swope, IBM<br> | William Swope, IBM<br> | ||
Julian Tirado-Rives, Yale University<br> | Julian Tirado-Rives, Yale University<br> | ||
| + | Marllory Tollefson, University of Iowa<br> | ||
Mark Tuckerman, NYU<br> | Mark Tuckerman, NYU<br> | ||
Sameer Varma, USF<br> | Sameer Varma, USF<br> | ||
| − | |||
| − | |||
| − | |||
Brandon Walker, UT Austin<br> | Brandon Walker, UT Austin<br> | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
Zhi Wang, WashU<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, University of California, Irvine | + | Ioan Andricioaei, University of California, Irvine<br> |
| − | + | Arnaud Blondel, Insitut Pasteur<br> | |
| − | |||
| − | Arnaud Blondel, Insitut Pasteur <br> | ||
Stefan Boresch, Universitat Wien<br> | Stefan Boresch, Universitat Wien<br> | ||
| − | Bernie Brooks, NIH <br> | + | Bernie Brooks, NIH<br> |
| − | Charles L. Brooks III, University of Michigan | + | Charles L. Brooks III, University of Michigan<br> |
| − | + | Josh Buckner, University of Michigan<br> | |
| − | Josh Buckner, University of Michigan | ||
| − | |||
Mike Crowley, National Renewable Energy Laboratory<br> | Mike Crowley, National Renewable Energy Laboratory<br> | ||
| − | Qiang Cui, Boston University | + | Qiang Cui, Boston University<br> |
| − | + | Michael Feig, Michigan State University<br> | |
| − | Michael Feig, Michigan State University <br> | + | Jiali Gao, University of Minnesota<br> |
| − | Jiali Gao, University of Minnesota <br> | + | Sergio Hassan, NIH<br> |
| − | Sergio Hassan, NIH <br> | + | Milan Hodoscek, National Institute of Chemistry, Slovenia<br> |
| − | Milan Hodoscek, National Institute of Chemistry, Slovenia <br> | + | Wonmuk Hwang, Texas A&M University Engineering<br> |
| − | Wonmuk Hwang, Texas A&M University Engineering <br> | + | Toshiko Ichiye, Georgetown University<br> |
| − | Toshiko Ichiye, Georgetown University <br> | + | Wonpil Im, Lehigh University<br> |
| − | Wonpil Im, Lehigh University <br> | + | Fabrice Leclerc, CNRS/Université Paris-Saclay<br> |
| − | Fabrice Leclerc, CNRS/Université Paris-Saclay<br> | ||
Themis Lazaridis, The City College of New York<br> | Themis Lazaridis, The City College of New York<br> | ||
Jianpeng Ma, Rice University<br> | Jianpeng Ma, Rice University<br> | ||
| − | Alex D. Mackerell, University of Maryland <br> | + | Alex D. Mackerell, University of Maryland<br> |
| − | Markus Meuwly, Basel University <br> | + | Markus Meuwly, Basel University<br> |
| − | Lennart Nilsson, Karolinska Institutet <br> | + | Lennart Nilsson, Karolinska Institutet<br> |
Kwangho Nam, UT Arlington<br> | Kwangho Nam, UT Arlington<br> | ||
| − | Victor Ovchinnikov, Harvard University<br> | + | Victor Ovchinnikov, Harvard University<br> |
| − | Emanuel Paci, University of | + | Emanuel Paci, University of Leeds<br> |
| − | Richard Pastor, NIH <br> | + | Richard Pastor, NIH<br> |
| − | David Perahia, ENS Saclay <br> | + | David Perahia, ENS Saclay<br> |
| − | Carol Post, Purdue University <br> | + | Carol Post, Purdue University<br> |
| − | Jingzhi Pu, | + | Jingzhi Pu, IUPUI<br> |
Daniel R. Roe, NHLBI/NIH<br> | Daniel R. Roe, NHLBI/NIH<br> | ||
| − | Benoit Roux, University of Chicago <br> | + | Benoit Roux, University of Chicago<br> |
| − | Jana Shen, University of Maryland <br> | + | Jana Shen, University of Maryland<br> |
| − | Andy Simmonett, NIH<br> | + | Andy Simmonett, NIH<br> |
| − | Thomas Simonson, Ecole Polytechnique <br> | + | Thomas Simonson, Ecole Polytechnique<br> |
| − | + | Christian Schroeder, Universitat Wien<br> | |
| − | + | Lee H. Woodcock, University of South Florida<br> | |
| − | + | Xiongwu Wu, NHLBI/NIH<br> | |
| − | Lee H. Woodcock, | + | Wei Yang, Florida State University<br> |
| − | |||
| − | Xiongwu Wu, NHLBI/NIH <br> | ||
| − | Wei Yang, Florida State University <br> | ||
Darrin York, Rutgers University <br> | Darrin York, Rutgers University <br> | ||
| Ligne 222 : | Ligne 225 : | ||
''' | ''' | ||
| − | Funding from the Institut des sciences du calcul et des données @Sorbonne Université is acknowledged (http://iscd.upmc.fr/) <br> | + | 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: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
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)
- 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)
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
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/)
