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J Chem Phys July 2020 PMID 32752662

Scalable molecular dynamics on CPU and GPU architectures with NAMD.

James C Phillips, David J Hardy, Julio D C Maia, John E Stone, João V Ribeiro, Rafael C Bernardi, Ronak Buch, Giacomo Fiorin, Jérôme Hénin, Wei Jiang, Ryan McGreevy, Marcelo C R Melo, Brian K Radak, Robert D Skeel, Abhishek Singharoy

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Mentions

35
Peak: 13 in Jul 2020
across 4 sources since Jul 2020

Extended reach

41,050
potential audience

Total likes

102

Video views

1,170

Mentions per month

Jul 2020 – Dec 2025

Where it's discussed

  • X / Twitter22 posts
  • News8 articles
  • YouTube3 videos
  • Blogs2 articles

AI synopsis

What people are saying

Discussions underscore the substantial performance improvements in NAMD, with posts describing the GPU advancements as 'astonishing' and emphasizing collaboration among researchers, which highlights both technical significance and community interest. The tone is enthusiastic and appreciative, reflecting high engagement and perceived impact on the field.

AgreementModerate agreement

Most posts praise the advancements in NAMD's GPU performance enhancements, showing strong support for the publication's claims.

InterestHigh interest

Discussions reveal high interest, especially with references to performance improvements and the significance of the research.

EngagementHigh engagement

Posters actively share their enthusiasm, collaborations, and requests for bibliographic updates, indicating deep engagement.

ImpactHigh impact

The widespread praise and recognition of significant performance gains suggest the publication's high impact on computational molecular dynamics.

Abstract in brief

  • NAMD is a molecular dynamics program optimized for simulating large biological structures on both supercomputers and budget-friendly academic clusters, written in C++ for enhanced performance.
  • It integrates advanced algorithms to run simulations of various thermodynamic conditions, employing popular biomolecular force fields like CHARMM and AMBER.
  • The review highlights NAMD's features for efficient equilibrium and enhanced-sampling simulations while discussing ongoing development efforts to improve its performance on GPU architectures for handling larger, complex biological systems.
Read the full abstract

Top posts

Most liked on X and Bluesky
Abhishek Singharoy
@abhisekhsingha1 · X

Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes Phillips2020 !! All new developments are covered and look forward to more @emadtaj @tcbguiuc @rafaelcbernardi #Roux #Chipot #Aksimentiev #Klaus @BeckmanInst

Jul 30, 2020 · 36 likes · 8 shares · 977 followers View post →
Emad Tajkhorshid, PhD
@emadtaj · X

Scalable molecular dynamics on CPU and GPU architectures with NAMD https://t.co/uQR35cARqU

Nov 2, 2020 · 21 likes · 4 shares · 1,415 followers View post →
Rafael C. Bernardi
@rafaelcbernardi · X

The @nvidia GPU performance improvement in #NAMD3 is astonishing. Read more about it in the new #NAMD reference paper. https://t.co/rqm7uKKlMW Great collaboration with @tcbguiuc @emadtaj @aksimentievLab @RouxLab @abhisekhsingha1 @juliomaia92 @KC9VGG @BeckmanInst @Illinois_Alma https://t.co/FCg52IaD9P

Jul 31, 2020 · 11 likes · 6 shares · 681 followers View post →
Mohamed Shehata
@Shehata92 · X

Scalable molecular dynamics on CPU and GPU architectures with NAMD https://t.co/EdTqFATlxU

Aug 5, 2020 · 4 likes · 1,015 followers View post →
Ismail Erol
@habibhobo · X

Scalable molecular dynamics on CPU and GPU architectures with NAMD: The Journal of Chemical Physics: Vol 153, No 4 https://t.co/B3xKBC923c

Jul 30, 2020 · 2 likes · 447 followers View post →
Rommie Amaro
@RommieAmaro · X

RT @abhisekhsingha1: Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes…

Jul 30, 2020 · 8 shares · 7,887 followers View post →

All mentions

Ropón-Palacios G. ت (he/him)
@roponpallab · X

RT @rafaelcbernardi: The @nvidia GPU performance improvement in #NAMD3 is astonishing. Read more about it in the new #NAMD reference paper…

Aug 15, 2021 · 6 shares · 429 followers View post →
圧到的に成長したぬーとりあはかぴばらと区別できないですわ（極悪令嬢・圧ヌ一ちゃん）
@piyota0 · X

Scalable molecular dynamics on CPU and GPU architectures with NAMD　https://t.co/KVlQCNy7Wg

Feb 21, 2021 · 2,778 followers View post →
Rafael C. Bernardi
@rafaelcbernardi · X

RT @emadtaj: Scalable molecular dynamics on CPU and GPU architectures with NAMD https://t.co/uQR35cARqU

Nov 2, 2020 · 4 shares · 681 followers View post →
Taras Pogorelov
@TarasPogorelov · X

RT @emadtaj: Scalable molecular dynamics on CPU and GPU architectures with NAMD https://t.co/uQR35cARqU

Nov 2, 2020 · 4 shares · 1,498 followers View post →
Nathalie Reuter
@reuter_nathalie · X

RT @emadtaj: Scalable molecular dynamics on CPU and GPU architectures with NAMD https://t.co/uQR35cARqU

Nov 2, 2020 · 4 shares · 1,197 followers View post →
Emad Tajkhorshid, PhD
@emadtaj · X

Scalable molecular dynamics on CPU and GPU architectures with NAMD https://t.co/uQR35cARqU

Nov 2, 2020 · 21 likes · 4 shares · 1,415 followers View post →
Mohamed Shehata
@Shehata92 · X

Scalable molecular dynamics on CPU and GPU architectures with NAMD https://t.co/EdTqFATlxU

Aug 5, 2020 · 4 likes · 1,015 followers View post →
Roux Lab
@RouxLab · X

RT @rafaelcbernardi: The @nvidia GPU performance improvement in #NAMD3 is astonishing. Read more about it in the new #NAMD reference paper…

Aug 1, 2020 · 6 shares · 4,364 followers View post →
Ryan Boyd (he/him)
@rjboyd000 · X

RT @abhisekhsingha1: Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes…

Aug 1, 2020 · 8 shares · 724 followers View post →
Christian Seitz
@chem_christian · X

RT @rafaelcbernardi: The @nvidia GPU performance improvement in #NAMD3 is astonishing. Read more about it in the new #NAMD reference paper…

Jul 31, 2020 · 6 shares · 1,178 followers View post →
Abhishek Singharoy
@abhisekhsingha1 · X

RT @rafaelcbernardi: The @nvidia GPU performance improvement in #NAMD3 is astonishing. Read more about it in the new #NAMD reference paper…

Jul 31, 2020 · 6 shares · 977 followers View post →
Rommie Amaro
@RommieAmaro · X

RT @rafaelcbernardi: The @nvidia GPU performance improvement in #NAMD3 is astonishing. Read more about it in the new #NAMD reference paper…

Jul 31, 2020 · 6 shares · 7,887 followers View post →
Rafael C. Bernardi
@rafaelcbernardi · X

The @nvidia GPU performance improvement in #NAMD3 is astonishing. Read more about it in the new #NAMD reference paper. https://t.co/rqm7uKKlMW Great collaboration with @tcbguiuc @emadtaj @aksimentievLab @RouxLab @abhisekhsingha1 @juliomaia92 @KC9VGG @BeckmanInst @Illinois_Alma https://t.co/FCg52IaD9P

Jul 31, 2020 · 11 likes · 6 shares · 681 followers View post →
Marilu Serrano
@marilu_serrano · X

RT @abhisekhsingha1: Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes…

Jul 30, 2020 · 8 shares · 176 followers View post →
Quyen Vu
@qvv5013 · X

RT @abhisekhsingha1: Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes…

Jul 30, 2020 · 8 shares · 55 followers View post →
Ozlem Dmr
@Ozlem__Dmr · X

RT @abhisekhsingha1: Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes…

Jul 30, 2020 · 8 shares · 260 followers View post →
Justin Lemkul
@JustinLemkulVT · X

RT @abhisekhsingha1: Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes…

Jul 30, 2020 · 8 shares · 3,369 followers View post →
Rommie Amaro
@RommieAmaro · X

RT @abhisekhsingha1: Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes…

Jul 30, 2020 · 8 shares · 7,887 followers View post →
Rune Kidmose
@RuneKidmose · X

RT @abhisekhsingha1: Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes…

Jul 30, 2020 · 8 shares · 661 followers View post →
Ismail Erol
@habibhobo · X

Scalable molecular dynamics on CPU and GPU architectures with NAMD: The Journal of Chemical Physics: Vol 153, No 4 https://t.co/B3xKBC923c

Jul 30, 2020 · 2 likes · 447 followers View post →
Abhishek Singharoy
@abhisekhsingha1 · X

RT @abhisekhsingha1: Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes…

Jul 30, 2020 · 8 shares · 977 followers View post →
Abhishek Singharoy
@abhisekhsingha1 · X

Happy to announce the #NAMD reference paper https://t.co/u6afL2BBaM Please update bibliographies, Phillips2005 becomes Phillips2020 !! All new developments are covered and look forward to more @emadtaj @tcbguiuc @rafaelcbernardi #Roux #Chipot #Aksimentiev #Klaus @BeckmanInst

Jul 30, 2020 · 36 likes · 8 shares · 977 followers View post →