5 research outputs found
An efficient parallelization scheme for molecular dynamics simulations with many-body, flexible, polarizable empirical potentials: application to water
- Author
- A Rahman
- B Quentrec
- BR Brooks
- BT Thole
- CJ Burnham
- CJ Burnham
- DA Pearlman
- DE Shaw
- George S. Fanourgakis
- GS Fanourgakis
- GS Heffelfinger
- H Partridge
- J Nieplocha
- J Nieplocha
- JA Barker
- Jarek Nieplocha
- JC Grossman
- JR Reimers
- L Verlet
- LX Dang
- M Allesch
- M Snir
- MH Willebeek-LeMair
- MP Allen
- MW Mahoney
- P Ahlström
- S Nosé
- S Plimpton
- Sotiris S. Xantheas
- TM Nymand
- U Essmann
- Vinod Tipparaju
- W Smith
- WC Swope
- WH Press
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
Full text linkA theoretical approach to molecular single-electron transistors
- Author
- A Aviram
- A Nitzan
- A Osted
- AD Becke
- AJ Stone
- AM Kuznetsov
- AP Alivisatos
- APL Rendell
- AS Blum
- CA Mirkin
- CA Naleway
- CB Nielsen
- DN Beratan
- DR Ward
- F Jensen
- H Park
- H Song
- J Chen
- J Hwang
- J Kongsted
- J Kongsted
- J Kongsted
- J Kongsted
- J Kongsted
- J Olsen
- J Park
- JE Jones
- JR Health
- JR Reimers
- K Kaasbjerg
- K Stokbro
- Kurt V. Mikkelsen
- KV Mikkelsen
- KV Mikkelsen
- KV Mikkelsen
- M Galperin
- M Galperin
- M Orrit
- M Sukharev
- M Taniguchi
- MD Newton
- MJG Peach
- P Hohenberg
- P Salek
- PJ Stephens
- RA Marcus
- RA Marcus
- RA Marcus
- S Kubatkin
- S Larsson
- SJ Molen van der
- SM Lindsay
- SPA Sauer
- Stine T. Olsen
- T Hansen
- T Hansen
- T Hansen
- T Yanai
- TD Poulsen
- TD Poulsen
- Thorsten Hansen
- TM Nymand
- V Mujica
- V Mujica
- W Liang
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textFormalisms for the Explicit Inclusion of Electronic Polarizability in Molecular Modeling and Dynamics Studies
- Author
- A Grossfield
- A Grossfield
- A Nakano
- A Toukmaji
- A Vaart van der
- A Wallqvist
- A Wallqvist
- A Warshel
- AA Chialvo
- AD Mackerell
- AD MacKerell
- AD MacKerell Jr
- AJ Stone
- AK Rappe
- AT Amos
- AY Toukmaji
- B Chen
- B Jeziorski
- B Sandak
- BC Perng
- BC Perng
- BG Dick
- BJC Cabral
- BT Thole
- BY Ma
- C Bret
- C Chipot
- C Millot
- CA Reynolds
- CJR Illingworth
- CS Wang
- CS Wang
- D Belle van
- D Belle van
- D Belle van
- D Jiao
- DJ Keffer
- DM York
- DN Bernardo
- DN Bernardo
- DX Yin
- E Harder
- E Harder
- E Harder
- E Llanta
- EL Pollock
- EL Pollock
- F Lado
- F London
- F Wang
- F Weinhold
- FH Stillinger
- FH Stillinger
- FH Streitz
- FJ Vesely
- G Jacucci
- G Jacucci
- G Lamoureux
- G Lamoureux
- G Lamoureux
- G Lamoureux
- G Ruocco
- GA Kaminski
- GA Kaminski
- GG Ferenczy
- GG Ferenczy
- GG Ferenczy
- GG Ferenczy
- GJ Martyna
- GL Warren
- GL Warren
- GL Warren
- H Saint-Martin
- H Saint-Martin
- H Toufar
- HA Stern
- HA Stern
- HB Yu
- HB Yu
- HB Yu
- HB Yu
- HC Andersen
- HJC Berendsen
- IM Svishchev
- J Applequist
- J Brodholt
- J Caldwell
- J Cao
- J Korchowiec
- J Lekner
- J Lekner
- J Sefcik
- JA Barker
- JAC Rullmann
- JE Hanlon
- JH Wu
- JL Banks
- JL Gao
- JL Gao
- JM Goodfellow
- JP Piquemal
- JP Piquemal
- JP Ryckaert
- JS Hoye
- JW Halley
- JW Ponder
- K Kitaura
- K Kiyohara
- L Ojamae
- LR Pratt
- LX Dang
- M Dixon
- M Masia
- M Medeiros
- M Medeiros
- M Neumann
- M Neumann
- M Parrinello
- M Sprik
- M Sprik
- M Swart
- M Tanaka
- M Tuckerman
- M Tuckerman
- M Valdez-Gonzales
- MCC Ribeiro
- MJ Field
- MJL Sangster
- ML Saboungi
- MP Allen
- MW Mahoney
- N Foloppe
- N Gronbech-Jensen
- NH Leeuw de
- NJ English
- O Kitao
- P Ahlstrom
- P Barnes
- P Cieplak
- P Hohenberg
- P Itskowitz
- P Jedlovszky
- P Jedlovszky
- PE Smith
- PEM Lopes
- PJ Maaren van
- PJ Mitchell
- PJ Winn
- PJ Winn
- PJD Lindan
- PJD Lindan
- PP Ewald
- PT Duijnen van
- PY Ren
- PY Ren
- PY Ren
- R Car
- R Chelli
- R Chelli
- R Chelli
- R Chelli
- R Chelli
- R Kutteh
- R Kutteh
- RA Friesner
- RA Nistor
- RF Nalewajski
- RF Nalewajski
- RF Nalewajski
- RG Parr
- RG Parr
- RP Iczkowski
- RS Mulliken
- S Brodersen
- S Kuwajima
- S Patel
- S Patel
- S Patel
- S Patel
- S Patel
- SB Zhu
- SJ Stuart
- SJ Stuart
- SR Gooding
- SW Rick
- SW Rick
- SW Rick
- SY Noskov
- T Campbell
- T Darden
- T Ogawa
- TA Halgren
- TD Rasmussen
- TJ Giese
- TM Chang
- TM Nymand
- TW Whitfield
- VM Anisimov
- VM Anisimov
- WD Cornell
- WG Hoover
- WL Bade
- WL Bade
- WL Bade
- WL Jorgensen
- WS Xie
- Y Cong
- Y Wu
- Y Zhang
- Y Zhong
- YB Ding
- YP Liu
- ZY Lu
- ZZ Yang
- ZZ Yang
- ZZ Yang
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2009
- Field of study
No full textPolarizable Force Fields for Proteins
- Author
- A Baranyai
- A Baranyai
- A Heßelmann
- A Heßelmann
- A Holt
- A Holt
- A Morita
- A Morita
- A Warshel
- A Warshel
- A Warshel
- A Warshel
- AC Kruse
- AD Buckingham
- AD MacKerell
- AD MacKerell
- AD MacKerell
- AG Donchev
- AG Donchev
- AG Donchev
- AG Donchev
- AG Donchev
- AG Donchev
- AJ Misquitta
- AJ Misquitta
- AJ Stone
- AJ Stone
- AJ Stone
- AK Rappe
- AP Kunz
- AV Gubskaya
- B Bauer
- B Guillot
- B Guillot
- B Jeziorski
- B Kim
- BE Mannfors
- BT Thole
- C Oostenbrink
- CE Dykstra
- CJ Burnham
- CM Baker
- CM Baker
- D Elking
- D Jiao
- D Jiao
- DE Williams
- DM Chipman
- DM Elking
- DM Elking
- E Harder
- E Harder
- E Harder
- F Dehez
- FH Stillinger
- FJ Vesely
- G Jacucci
- G Lamoureux
- G Lamoureux
- G Lamoureux
- G Lamoureux
- GA Cisneros
- GA Kaminski
- GA Kaminski
- GA Kaminski
- GA Kaminski
- GA Kaminski
- GA Kaminski
- GA Kaminski
- GR Marshall
- H Partridge
- H Yu
- H Yu
- HA Lorentz
- HA Stern
- HA Stern
- HB Yu
- I Cacelli
- I Vorobyov
- IV Leontyev
- IV Leontyev
- IV Vorobyov
- J Applequist
- J Applequist
- J Chen
- J Chen
- J Chowdhary
- J Gao
- J Wang
- J Wang
- J Wang
- J Wang
- JE Davis
- JG McDaniel
- JG McDaniel
- JL Banks
- JM Hermida-Ramón
- JP Piquemal
- JR Maple
- JW Ponder
- JW Ponder
- K Ansorg
- K Ichikawa
- K Kitaura
- K Palmo
- K Palmo
- K Palmo
- K-H Cho
- L Gong
- L Huang
- L-P Wang
- LP Wang
- LS Rothman
- LV Lorenz
- M Karplus
- M Levitt
- M Masia
- M Masia
- M Masia
- MG Darley
- MJ Schnieders
- ML Olson
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- MS Gordon
- MS Gordon
- O Borodin
- O Demerdash
- O Engkvist
- O Khoruzhii
- P Barnes
- P Cieplak
- P Cieplak
- P Itskowitz
- P Jungwirth
- P Paricaud
- P Ren
- P Ren
- PE Lopes
- PEM Lopes
- PEM Lopes
- PEM Lopes
- PEM Lopes
- PL Silvestrelli
- PY Ren
- R Buchner
- R Chelli
- R Nygaard
- R Salomon-Ferrer
- R Wheatley
- R Zacharia
- RA Friesner
- RB Best
- RG Parr
- RJ Wheatley
- RJ Wheatley
- RM Lynden-Bell
- S Patel
- S Patel
- S Patel
- S Patel
- S Piana
- SW Rick
- SW Rick
- SY Ponomarev
- SY Ponomarev
- T Liang
- T Liang
- TA Halgren
- TA Halgren
- TC Lillestolen
- TH Click
- TH Click
- TM Nymand
- TP Straatsma
- TP Straatsma
- TR Stouch
- TY Yan
- U Dinur
- VM Anisimov
- VM Anisimov
- W Cornell
- W Xie
- W Xie
- WF Gunsteren van
- WF Murphy
- WL Jorgensen
- WL Jorgensen
- X He
- X Li
- X Zheng
- X Zhu
- X Zhu
- Y Luo
- Y Shi
- Y Shi
- Y Wu
- YQ Tu
- Z-X Wang
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textIntroduction
- Author
- A Bonvalet
- A Bonvalet
- A Corchia
- A Fifin
- A Gurtler
- A Kaestner
- A Kaplan
- A Leitenstorfer
- A Leitenstorfer
- A Moto
- A Nahata
- A Nahata
- A Nahata
- A Nahata
- A Nahata
- A Pimenov
- A Quema
- A Rahman
- A Tani
- AA Ignatov
- AA Zharov
- AB Ruffin
- AB Ruffin
- AG Markelz
- AJ Gatesman
- AJ Taylor
- AKS Kumar
- AM Nicolson
- AM Sinyukov
- AM Tomlinson
- AP DeFonzo
- AP DeFonzo
- AS Pine
- AS Weling
- AS Weling
- AS Weling
- AV Kuznetsov
- AV Maslov
- B Ferguson
- B Guo
- B Parks
- B Parks
- B Senitzky
- BB Hu
- BB Hu
- BB Hu
- BB Hu
- BB Hu
- BE Cole
- BGL Jager
- BI Greene
- BI Greene
- BI Greene
- BN Flanders
- BN Flanders
- BN Flanders
- BS Williams
- C Chansungsan
- C Fattinger
- C Fattinger
- C Fattinger
- C Jaekel
- C Jaekel
- C Kadow
- C Karadi
- C Ludwig
- C Lutz
- C Messner
- C Messner
- C Raman
- C Rangan
- C Ronne
- C Ronne
- C Ronne
- C Weiss
- C Weiss
- C Weiss
- C Winnewisser
- C Winnewisser
- C Winnewisser
- C Winnewisser
- CM Ciesla
- CR Englert
- CS Kee
- CW Siders
- D Citrin
- D Cote
- D Dragoman
- D Grischkowsky
- D Grischkowsky
- D Grischkowsky
- D Grischkowsky
- D Hashimshony
- D Kralj
- D Kralj
- D Mittleman
- D Some
- D You
- D You
- DE Cooper
- DG Melnik
- DH Auston
- DH Auston
- DH Auston
- DH Auston
- DH Auston
- DJ Cook
- DJ Cook
- DM Mittleman
- DM Mittleman
- DM Mittleman
- DM Mittleman
- DM Mittleman
- DR Dykaar
- DR Dykaar
- DR Grischkowsky
- DS Venables
- DS Venables
- DW Weide van der
- E Brundermann
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- E Gerecht
- E Knoesel
- E Kume
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- EM Telles
- ER Brown
- F Gao
- F Garet
- F Klappenberger
- F Maiwald
- F Matsushima
- F Ming-Li
- F Rahman
- FA Buot
- FA Hegmann
- FG Sun
- FN Keutsch
- G Arjavalingam
- G Callot
- G Gallot
- G Gallot
- G Haran
- G Jeon
- G Meinert
- G Mouret
- G Mourou
- G Rodriguez
- GA Mourou
- GC Cho
- GP Williams
- GR Lin
- H Hamster
- H Hamster
- H Harde
- H Harde
- H Harde
- H Harde
- H Harde
- H Harde
- H Hashimoto
- H Kitahara
- H Nemec
- H Ohtake
- H Ohtake
- H Ohtake
- H Roskos
- H Takahashi
- H Yoneda
- HG Roskos
- HG Roskos
- HJ Bakker
- I Brener
- I Brener
- I Iguchi
- I Khmyrova
- I Wilke
- IH Libon
- J Ahn
- J Bromage
- J Bromage
- J Bromage
- J Bromage
- J Corson
- J Hovenier
- J Kawamura
- J O’Hara
- J Pearce
- J Riordan
- J Shan
- J Shan
- J Shikata
- J Ulrich
- J Ulrich
- J Van-Rudd
- J Van-Rudd
- J Zielbauer
- J-H Son
- J-H Son
- J-L Heeseok-Lee
- JA Reedijk
- JE Boyd
- JE Pedersen
- JE Pedersen
- JE Pedersen
- Jeon
- JF Bulzacchelli
- JF Federici
- JF Federici
- JF Holzman
- JF Lampin
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- JF Roux
- JI Shikata
- JJ Carey
- JL Freeman
- JL Johnson
- JL Johnson
- JLW Siders
- JM Chwalek
- JM Lachaine
- JN Heyman
- JN Heyman
- JN Hovenier
- JO White
- JO White
- JQ Lu
- JR Demers
- JS Dodge
- JT Darrow
- JT Kindt
- JT Kindt
- JV Rudd
- JV Rudd
- JW Digby
- K Hirakawa
- K Imai
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- K Kawase
- K Kawase
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- K-S-L Chun-Zhang
- KA Mcintosh
- KH Gundlach
- KH Yang
- KI Saitow
- KP Cheung
- KP Cheung
- KPH Liu
- KW West
- L Carin
- L Carin
- L Duvillaret
- L Duvillaret
- L Duvillaret
- L Duvillaret
- L Jongjoo
- L Thrane
- L Xu
- L Xu
- L Xu
- M Bieler
- M Bozzi
- M Brucherseifer
- M Brucherseifer
- M Exter van
- M Exter van
- M Exter van
- M Exter van
- M Exter van
- M Hangyo
- M Hangyo
- M Hermann
- M Herrmann
- M Joffre
- M Khazan
- M Koch
- M Li
- M Li
- M Migita
- M Nagel
- M Nagel
- M Nuss
- M Ree
- M Schall
- M Schall
- M Schall
- M Schall
- M Tani
- M Tani
- M Tani
- M Tani
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- M Tonouchi
- M Tonouchi
- M Tonouchi
- M Tonouchi
- M Tonouchi
- M Walther
- M Walther
- M Yamashita
- M Yamashita
- MB Johnston
- MB Ketchen
- MC Beard
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- MC Beard
- MC Gaidis
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- MY Frankel
- N Katzenellenbogen
- N Kida
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- O Mitrofanov
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- O Mitrofanov
- O Mitrofanov
- O Morikawa
- O Morikawa
- O Morikawa
- O Morikawa
- OV Misochko
- P Boucaud
- P Gu
- P Gu
- P Haring Bolivar
- P Harrison
- P Jepsen
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- PU Jepsen
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- Q Chen
- Q Chen
- Q Chen
- Q Chen
- Q Chen
- Q Wu
- Q Wu
- Q Wu
- Q Wu
- Q Wu
- R Averitt
- R Averitt
- R Bratschitsch
- R Buhleier
- R Colombelli
- R Gendriesch
- R Gonzalo
- R Harel
- R Huber
- R Huber
- R Kersting
- R Kersting
- R Kersting
- R Kohler
- R Martini
- R McElroy
- R McLaughlin
- R McLaughlin
- R Mendis
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- RA Cheville
- RA Cheville
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- S Feng
- S Feng
- S Hughes
- S Hughes
- S Hunsche
- S Hunsche
- S Kamba
- S Kono
- S Kono
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- S Labbe-Lavigne
- S Matsuura
- S Matsuura
- S Mickan
- S Nashima
- S Nashima
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- S Ono
- S Ono
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- S Verghese
- S Verghese
- S Winnerl
- S-G Park
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- S. Hunsche
- SC Howells
- SC Howells
- SD Brorson
- SD Brorson
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- SE Ralph
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- SR Keiding
- SR Keiding
- SS Prabhu
- SW Smye
- SY Lin
- SY Lin
- T Aoki
- T Dekorsy
- T Hattori
- T Kiwa
- T Kiwa
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- T Kondo
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- Y Cai
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- Z Jiang
- Z Jiang
- Z Jiang
- Z Jiang
- Z Jiang
- Z Liu
- Z Piao
- ZG Lu
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 01/01/2003
- Field of study
No full text
