11 research outputs found
Peta-Scale Hierarchical Hybrid Multigrid Using Hybrid Parallelization
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textA Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations
- Author
- A Gora
- A Hornberg
- A Ramanathan
- A Shafferman
- A Shafferman
- AD MacKerell
- AE Boyd
- Aiyana Emigh
- B Habtemariam
- B Sanson
- B Sanson
- BJ Bennion
- BJ Bennion
- BJ Bennion
- BR Brooks
- Brian J. Bennion
- C Bartolucci
- C Faerman
- C Kronman
- C Niu
- C Viragh
- CB Millard
- CB Millard
- CY Luo
- D Frishman
- D Gunnell
- D Porschke
- D Van Belle
- DA Case
- E Artursson
- E Carletti
- E Dolgin
- E Karlsson
- E Neria
- Edmond Y. Lau
- F Bai
- F Ekstrom
- F Ekstrom
- F Tama
- F Worek
- F Worek
- Felice C. Lightstone
- FJ Munoz
- Freddie Salsbury Jr
- G Kryger
- GR Silva
- GS Sirin
- GS Sirin
- H Dvir
- HM Berman
- HM Greenblatt
- HO Michel
- HX Zhou
- IB Wilson
- IM Kovach
- J Eastman
- J Peters
- J Stone
- J Wang
- JA McCammon
- JC Phillips
- Jean-Luc Fattebert
- JJ Liu
- JL Fattebert
- JL Fattebert
- JL Sussman
- JM Beck
- JM Bui
- JP Colletier
- JP Colletier
- JP Perdew
- K Tai
- L Alisaraie
- L Fang
- L Larsson
- M Bazelyansky
- M Fuxreiter
- M Trapp
- MK Gilson
- MS Lee
- N Ariel
- P Anand
- P Marchot
- P Masson
- Q Zou
- RC Tan
- Sebnem G. Essiz
- ST Wlodek
- W Humphrey
- WC Still
- WG Krebs
- Y Bourne
- Y Xu
- Y Zhao
- YC Xu
- YC Xu
- YC Xu
- Z Kovarik
- Z Radic
- Z Radic
- Publication venue
- 'Public Library of Science (PLoS)'
- Publication date
- Field of study
No full textMolecular bilayer graphene
- Author
- A Fechtenkotter
- AK Geim
- BJ LeRoy
- C Kaufmann
- C Seifert
- CJ Shih
- CJ Shih
- F Jackel
- GM Paterno
- GR Kiel
- H Patel
- H Zhou
- J Hermann
- J Hermann
- J Wu
- JJ Dressler
- JL Fattebert
- JP Hill
- JS Wu
- K Ikemoto
- K Kang
- K Müllen
- K Yan
- KS Novoselov
- L Chen
- L Ju
- M Kasha
- MD Watson
- MR Ajayakumar
- PJ Evans
- R Yamaguchi
- S Grimme
- S Zhao
- SC Lin
- T Wöhrle
- W Pisula
- X Feng
- X Feng
- X Feng
- XL Feng
- Y Zhang
- Z Tomovic
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textConvergence study of the h-adaptive PUM and the hp-adaptive FEM applied to eigenvalue problems in quantum mechanics
- Author
- A Simone
- A Veeser
- B Kanungo
- C Mavriplis
- D Davydov
- D Mao
- D Zhang
- DJ Griffiths
- EJ Bylaska
- EM Garau
- G Bao
- H Chen
- H Chen
- I Babuška
- J Fang
- JE Pask
- JL Fattebert
- JM Melenk
- JM Melenk
- M Ainsworth
- MG Larson
- N Sukumar
- P Hohenberg
- P Houston
- P Houston
- P Ming
- P Motamarri
- PG Ciarlet
- R Verfürth
- R Verfürth
- RG Durán
- S Giani
- SR White
- T Belytschko
- T Belytschko
- T Eibner
- T Fankhauser
- T-P Fries
- V Heuveline
- V Heuveline
- V Schauer
- W Bangerth
- W Kohn
- WF Mitchell
- X Dai
- Y Maday
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textAn Integrated Methodology for Screening Hydrogen Evolution Reaction Catalysts: Pt/Mo2C as an Example
- Author
- A Bakenne
- A Logadottir
- C Wan
- D Gunceler
- D Sokolsky
- DV Esposito
- DV Esposito
- DV Esposito
- E Santos
- G Kresse
- G Kresse
- GM Rangger
- H Zhuang
- H Zhuang
- HB Wu
- HJ Monkhorst
- I Dincer
- IC Man
- J Barber
- J Cheng
- J Greeley
- J Greeley
- J Rossmeisl
- JL Fattebert
- JP Perdew
- JP Perdew
- K Letchworth-Weaver
- K Momma
- K Page
- KF Garrity
- L Liao
- L Lin
- M Methfessel
- M Sulpizi
- MC Weidman
- MP Gaigeot
- NS Alhajri
- P Quaino
- PE Blöchl
- R Armstrong
- R Dronskowski
- R Hoffmann
- R Levy
- R Parsons
- S Meyer
- S Petrosyan
- S Styring
- S Trasatti
- ST Hunt
- T Koga
- T Koga
- T Pajkossy
- TG Kelly
- TG Kelly
- TG Kelly
- VL Deringer
- W Sheng
- W-F Chen
- Y Ping
- Y Ping
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textFundamental Challenges for Modeling Electrochemical Energy Storage Systems at the Atomic Scale
- Author
- A Galdikas
- A Groß
- A Groß
- A Groß
- A Groß
- A Groß
- A Roudgar
- A Schechter
- ACT Duin van
- AR Leach
- B Dunn
- C Chen
- CT Love
- CY Ouyang
- D Aurbach
- D Gunceler
- F Buchner
- F Buchner
- F Gossenberger
- F Gossenberger
- F Gschwind
- G Girishkumar
- G Henkelman
- G Henkelman
- G Zhong
- GA Elia
- GX Zhang
- H Lin
- HA Hansen
- HD Yoo
- HJ Chang
- J Behler
- J Christensen
- J Lee
- J Steiger
- J Tersoff
- JA Venables
- JB Goodenough
- JB Goodenough
- JC Fogarty
- JK Nørskov
- JK Nørskov
- JK Nørskov
- JL Fattebert
- JM Tarascon
- K Forster-Tonigold
- K Leung
- K Leung
- K Mathew
- K Nishikawa
- K Reuter
- K Ushirogata
- K Xu
- L Bao
- L Qu
- LL Tian
- M Armand
- M Bozorgchenani
- M Jäckle
- ME Spahr
- MS Islam
- MZ Mayers
- N Hörmann
- N Hörmann
- N Liu
- N Williard
- NG Hörmann
- O Andreussi
- O Borodin
- O Borodin
- O Borodin
- P Kubiak
- P Novak
- PG Bruce
- PJ Feibelman
- QS Zhao
- R Akolkar
- R Chen
- R Schlögl
- R Sundararaman
- S Fleischmann
- S Fritsch
- S Habershon
- S Lorenz
- S Ren
- S Sakong
- S Sakong
- S Sakong
- S Yayathi
- SK Natarajan
- WS Kim
- X Lin
- X Lin
- Y Ma
- YS Cohen
- Z Li
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- 10/08/2018
- Field of study
No full textForest cover and level of protection influence the island-wide distribution of an apex carnivore and umbrella species, the Sri Lankan leopard (Panthera pardus kotiya)
- Author
- A Arponen
- A Harihar
- A Rabinowitz
- A Turner
- AC Watson
- AH Fielding
- AJ Shirk
- AM Dickman
- AM Kittle
- AM Kittle
- AM Kittle
- AM Kittle
- AM Kittle
- Andrew M. Kittle
- Anjali C. Watson
- AP Jacobson
- ASL Rodrigues
- BC Timm
- BF Kuhn
- C Bellamy
- C Carbone
- C Inskip
- C Merow
- CAW Guggisberg
- CF Dormann
- CJA Bradshaw
- CM Thompson
- D Carroll
- D Johnson
- David. W. Macdonald
- DL Warren
- DW Macdonald
- DWC
- EE Saupe
- F Carvalho
- F Sergio
- F Sergio
- GA Balme
- GA Balme
- H Bauer
- HPM Gunasena
- J Elith
- J Elith
- J Elith
- J Fattebert
- J Terborgh
- J Whittington
- JA Estes
- JA Wiens
- JL Brown
- JP Edirisinghe
- JT Fisher
- JW Gagnon
- K McGarigal
- KH Redford
- KP Burnham
- KR Crooks
- LI Grassman
- LL Marker
- M Basille
- M Odden
- M Power
- M Vergara
- M Wegmann
- MC Mateo Sánchez
- MM Syfert
- MP Perera
- MP Perera
- MS Boyce
- MW Hayward
- N Carter
- NH Carter
- O Uphyrkina
- PE Stander
- RP Anderson
- RS Steneck
- RT Paine
- S Miththapala
- S Rostro-Garcia
- SA Cushman
- Samuel A. Cushman
- SJ Andelman
- SJ Phillips
- SJ Phillips
- SJ Phillips
- SL Pimm
- SMC Cavalcanti
- SU Deraniyagala
- T Somasekaram
- TM Brooks
- TM Caro
- V Athreya
- V Athreya
- W Shehzad
- WJ Ripple
- Y Bouyer
- Y Fourcade
- Y Yokoyama
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textDensity functional conformational study of 2-O-sulfated 3,6 anhydro-α-D-galactose and of neo-κ- and ι-carrabiose molecules in gas phase and water
- Author
- A Rashid
- Abd-Ed-Daim Kadoun
- AD French
- AD French
- Adlane Sayede
- B Tissot
- BP Eijck Van
- C Curutchet
- C McDonnell
- CA Stortz
- CA Stortz
- CA Stortz
- CA Stortz
- CA Stortz
- CA Stortz
- CA Stortz
- CA Stortz
- CHS Wong
- CJM Huige
- CO Silva Da
- D Lamba
- DA Navarro
- DA Navarro
- DA Navarro
- DR Ferro
- DR Ferro
- E Hatcher
- E Langella
- E Parra
- F Longchambon
- FA Momany
- FA Momany
- FA Momany
- FA Momany
- FA Momany
- FA Momany
- GA Jeffrey
- GI Csonka
- GL Strati
- GL Strati
- I Tvaroska
- IR Gould
- IUPAC-IUB Commission on Biochemical Nomenclature
- J Landström
- J-H Lii
- J-H Lii
- J-H Lii
- JL Fattebert
- JM Kuttel
- JY Questel Le
- K Ueda
- K Ueda
- K Ueda
- K Ueda
- L Onsager
- L Perič-Hassler
- M Appell
- M Appell
- M Dauchez
- M Dauchez
- M Hricovini
- M Ragazzi
- Majda Sekkal-Rahal
- Michael Springborg
- MK Dowd
- MK Dowd
- MLC Kouwijzer
- MM Kuttel
- N Yousfi
- Noreya Bestaoui-Berrekhchi-Berrahma
- Noureddine Yousfi
- P Pogány
- PFB Gonçalves
- Philippe Derreumaux
- R Urbani
- RH Marchessault
- RP Millane
- S Arnott
- S Genicot-Joncour
- S Janaswamy
- S Janaswamy
- S Kristyan
- SB Engelsen
- SN Ha
- U Schnupf
- U Schnupf
- U Schnupf
- V Barone
- V Tran
- VL Campo
- WB Bosma
- WB Bosma
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textSelf-assembled nanowires on semiconductor surfaces
- Author
- A Cho
- A Kida
- A Saito
- AA Baski
- AD Becke
- AP Horsfield
- AP Sutton
- AR Avery
- AV Zotov
- B Voigtlander
- BC Harrison
- BC Harrison
- BS Swartzentruber
- BS Swartzentuber
- BZ Liu
- BZ Liu
- BZ Liu
- BZ Liu
- C Ohbuchi
- C Ohbuchi
- C Preinesberger
- C Preinesberger
- C-K Skylaris
- CF Bird
- CF Bird
- CM Goringe
- D Lee
- D Lee
- D. R. Bowler
- DP Adams
- DR Bowler
- DR Bowler
- DR Bowler
- DR Bowler
- DR Bowler
- DR Bowler
- FP Netzer
- G Brocks
- G Chen
- G-M Rignanese
- GAD Briggs
- GC Abeln
- GC Abeln
- GL Molnár
- GP Lopinski
- GP Srivastava
- H Matsuhata
- H Okino
- HJW Zandvliet
- I Goldfarb
- IF Koval
- J Nogami
- J Nogami
- J Tersoff
- J-F Lin
- J-L Li
- J-L Lin
- J-Z Wang
- J. H. G. Owen
- JHG Owen
- JHG Owen
- JHG Owen
- JHG Owen
- JHG Owen
- JHG Owen
- JHG Owen
- JHG Owen
- JHG Owen
- JHG Owen
- JL Fattebert
- JL McChesney
- JM MacLeod
- JM MacLeod
- JM MacLeod
- JM Soler
- JN Crain
- JR Ahn
- JR Heath
- JT Wang
- JT Wang
- JV Barth
- K Miki
- K Miki
- K Miki
- K Miki
- K Nakamura
- K Sagisaka
- K. Miki
- L Fitting
- M Fujimori
- M Katkov
- M Kuzmin
- M Kuzmin
- M Kuzmin
- M Kuzmin
- M Naitoh
- M Naitoh
- M Naitoh
- M Naitoh
- M Sakurai
- M Shimomura
- M Stevens
- M Tanaka
- M Todorovic
- MA Albao
- MA Rezaei
- MC Hersam
- MD Segall
- MMR Evans
- MV Katkov
- N Takeuchi
- O Gurlu
- O Kubo
- O Sakata
- O Sakata
- OF Sankey
- P Hohenberg
- P Ordejon
- P Segovia
- R Losio
- R Ragan
- R Ragan
- RE Perälä
- RH Miwa
- RH Miwa
- RH Miwa
- RH Miwa
- S Goedecker
- S Goedecker
- S Harako
- S Watanabe
- S Watanabe
- S Yagi
- SB Zhang
- SR Schofield
- SS Lee
- T Hashizume
- T Hashizume
- T Hitosugi
- T Hitosugi
- T Itoh
- T Ozaki
- T-C Shen
- T-C Shen
- TV Afanasieva
- W Chen
- W Kohn
- WA Hofer
- X-P Li
- Y Chen
- Y Chen
- Y Chen
- Y Wang
- YP Zhang
- Z He
- Z He
- Z He
- Z He
- Z He
- Z-C Dong
- Publication venue
- 'Springer Science and Business Media LLC'
- Publication date
- Field of study
No full textComputational enzymology for degradation of chemical warfare agents: promising technologies for remediation processes
- Author
- Ahmed Z Ravandi A, Maguire GF, et al.
- Assis LC Santos-Garcia L, Ramalho TC, et al.
- Aubert SD Li YC, Raushel FM
- Azevedo LS Moraes FP, Xavier MM, et al.
- Berny P
- Bigley AN Raushel FM
- Bigley AN Xu C, Henderson TJ, et al.
- Blum MM Löhr F, Richardt A, et al.
- Blum MM Timperley CM, Williams GR, et al.
- Brooks BR Bruccoleri RE, Olafson BD, et al.
- Calvert GM Karnik J, Mehler L, et al.
- Camps J Pujol I, Ballester F, et al.
- Cannard K
- Castro AA Caetano MS, Silva TC, et al.
- Chen SL Fang WH, Himo F
- Chen-Goodspeed M Sogorb MA, Wu F, et al.
- da Cunha EFF Ramalho TC, Reynolds RC
- de Azevedo WF
- Dubey KD Tiwari RK, Ojha RP
- Durrant JD McCammon JA
- Dvir H Silman I, Harel M, et al.
- Eddleston M
- Elias M Liebschner D, Koepke J, et al.
- Fairchild SZ Peterson MW, Hamza A, et al.
- Fattebert JL Lau EY, Bennion BJ, et al.
- Gaidukov L Tawfik DS
- Gay DD Hoskin FCG
- Giacoppo JOS Mancini DT, Guimaraes AP, et al.
- Goodsell DS Olson AJ
- Harel M Aharoni A, Gaidukov L, et al.
- Hartleib J Geschwindner S, Scharff EI, et al.
- Hartleib J Rüterjans H
- Hartleib J Rüterjans H
- Hoskin FCG Kirkish MA, Steinmann KE
- Hoskin FCG Long RJ
- Hoskin FCG Rosenberg P, Brzin M
- Hu X Jiang X, Lenz DE, et al.
- Husain K
- Hörnberg A Tunemalm AK, Ekström F
- Iyer R Iken B
- Iyer R Iken B, Damania A
- Jang YJ Kim K, Tsay O, et al.
- Jones G Willett P, Glen RC, et al.
- Kalé L Skeel R, Bhandarkar M, et al.
- Karplus M McCammon JA
- Katsemi V Lücke C, Koepke J, et al.
- Kavalci C Durukan P, Ozer M, et al.
- Khersonsky O Tawfik DS
- Kim K Tsay OG, Atwood DA, et al.
- King AM, Aaron CK
- Kirkpatrick S Gelatt Jr CD, Vecchi MP
- Koren-Gluzer M Aviram M, Meilin E, et al.
- Kuca K Bartosova L, Jun D, et al.
- Kuca K Jun D, Musilek K
- Kumar DN Alex SA, Chandrasekaran N, et al.
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- Lewis VE Donarski WJ, Wild JR, et al.
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- Lima WEA Pereira AF, Castro AA, et al.
- Liu M Wang S
- Lodola A Mulholland AJ
- Melzer M Chen JCH, Heidenreich A, et al.
- Mercey G Verdelet T, Renou J, et al.
- Morris GM Goodsell DS, Olson AJ
- Mulholland AJ
- Musilek K Dolezal M, Gunn-Moore F, et al.
- Muthukrishnan S Shete VS, Sanan TT, et al.
- Nachon F Brazzolotto X, Trovaslet M, et al.
- Nemukhin AV Grigorenko BL, Lushchekina SV, et al
- Nowlan C Li Y, Hermann JC, et al.
- Ochoa R Rodriguez CA, Zuluaga AF
- Otto TC Harsch CK, Yeung DT, et al.
- Pasquet J Mazuret A, Fournel J, et al.
- Perezgasga L Sanchez-Sanchez L, Aguila S, et al.
- Phillips JC Braun R, Wang W, et al.
- Puri KD Di Paolo JA, Gold MR
- Ramalho TC Castro AA, Silva DR, et al.
- Rarey M Kramer B, Lengauer T, et al.
- Rochu D Chabriere E, Masson P
- Rochu D Viguié N, Renault F, et al.
- Rosenfeld RJ Goodsell DS, Musah RA, et al.
- Santos-Garcia L Assis LC, Silva DR, et al.
- Sartorelli J Castro AA, Ramalho TC, et al.
- Scharff EI Koepke J, Fritzsch G, et al.
- Scott WRP Hünenberger PH, Tironi IG, et al.
- Senn HM Thiel W
- Shih DM Gu LJ, Xia YR, et al.
- Silva TC Pires MS, Castro AA, et al.
- Singh BK Walker A
- Soares S Vieira AA, Delfino RT, et al.
- Szinicz L
- Tafuri J Roberts J
- Theriot CM Grunden AM
- Thomsen R Christensen MH
- Tsai PC Bigley A, Li Y, et al.
- Tsai PC Fox N, Bigley AN, et al.
- van der Kamp MW Mulholland AJ
- Vanhooke JL Benning MM, Raushel FM, et al.
- Wilson IB Ginsburg S
- Wymore T Field MJ, Langan P, et al.
- Yeung DT Lenz DE, Cerasoli DM
- Zheng M Waller MP
- Publication venue
- 'American Institute of Mathematical Sciences (AIMS)'
- Publication date
- 01/01/2017
- Field of study
No full text
