eSSENCE Publications
Below you will find a list of all peer-reviewed publications in scientific journals and conference proceedings from the eSSENCE research groups in 2010-2014.

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We ask all eSSENCE researchers to acknowledge the research program in their publications/presentations:

For work directly funded by eSSENCE:
This work was supported by the Swedish strategic research programme eSSENCE.

For work originating from the eSSENCE environment, irrespective funding:
This work forms part of the Swedish strategic research programme eSSENCE.

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AuthorsTitleJournal / ConferenceYear
Sopasakis, AlexandrosLattice Free Stochastic DynamicCommunications in Computational Physics, 12, 3, 7022012
K. Selim, A. Logg, and M.G. LarsonAn adaptive finite element splitting method for the incompressibleComput. Methods Appl. Mech. Engrg., 209/212, , 54-652012
Spångberg, D., Guardia, E., Masia, M.Aqueous halide potentials from force matching of Car-Parrinello dataComputational and Theoretical Chemistry, 982, , 58-652012
Martin Kronbichler and Katharina KormannA generic interface for parallel cell-based finite element operator applicationComputers & Fluids, 63, , 135-1472012
Mao, Bo, Harrie, Lars, Ban, YifangDetection and typification of linear structures for dynamic visualization of 3D city modelsComputers Environment And Urban Systems, 36, 3, 2442012
B. Kågström, S. Johansson, and P. JohanssonStratiGraph Tool: Matrix Stratifications in Control Applications Control and Optimization with Differential-Algebraic Constraints, SIAM Publications, DC23, , 79-1032012
Åqvist, J., Lind, C., Sund, J. & Wallin, G. Bridging the Gap between Ribosome Structure amd Biochemistry by Mechanistic ComputationsCurr. Opin. Struct. Biol., 22, , 815-8232012
Sergio Manzetti, Hadi Behzadi, Otto Andersen and David Van Der SpoelFullerenes toxicity and electronic propertiesEnvironmental Chemistry Letters, Online publ,, 2012
J. Luo, B. Van Loo and S. C. L. KamerlinCatalytic promiscuity in Pseudomonas auerignosa arylsulfatase as an example of chemistry-driven protein evolution.FEBS Lett., 586, , 1622-16302012
Baudoin, Eric, Bai, Xue-Song, Yan, Beibei, Hosseini, Seyed Mohammad, Li, B., Elbaz, A., Sami, M., Li, Zhongshan, Collin, Robert, Gong, Cheng, Fuchs, Laszlo, Aldén, Marcus, Mansour, M.S.Effect of partial premixing on stabilization and local extinction of turbulent methane/air flamesFlow Turbulence and Combustion, Online publ,, 2012
Jangi, Mehdi, Yu, Rixin, Bai, Xue-SongDevelopment of Chemistry Coordinate Mapping Approach for Turbulent Partially Premixed CombustionFlow, Turbulence and Combustion, Online publ,, 2012
Savre Julien, Carlsson Henning, Bai Xue-SongTurbulent methane/air premixed flame structure at high Karlovitz numberFlow, Turbulence and Combustion, Online publ,,2012
A.J. Ferrer, F. Hernández, J. Tordsson, E. Elmroth, A. Ali-Eldin, C. Zsigri, R. Sirvent, J. Guitart, R.M. Badia, K. Djemame, W. Ziegler, T. Dimitrakos, S.K. Nair, G. Kousiouris, K. Konstanteli, T. Varvarigou, B. Hudzia, A. Kipp, S. Wesner, M. Corrales, N. Forgó, T. Sharif, and C. SheridanOPTIMIS: a Holistic Approach to Cloud Service ProvisioningFuture Generation Computer Systems, 28, 1, 66-772012
Tagesson, Torbern, Mölder, Meelis, Mastepanov, Mikhail, Sigsgaard, Charlotte, Tamstorf, Mikkel P., Lund, Magnus, Falk, Julie Maria, Lindroth, Anders, Christensen, Torben, Ström, LenaLand-atmosphere exchange of methane from soil thawing to soil freezing in a high-Arctic wet tundra ecosystemGlobal Change Biology, 18, 6, 19402012
Marshall, M., Tu, K., Funk, C., Michaelsen, J., Williams, P., Williams, C., Ardö, Jonas, Marie, B., Cappelaere, B., Grandcourt, A.Combining surface reanalysis and remote sensing data for monitoring evapotranspirationHydrology and earth system sciences discussions, 9, , 15872012
A. Barrozo, R. Borstnar, G. Marloie and S. C. L. KamerlinComputational protein engineering: Bridging the gap between rational design and laboratory evolution.Int. J. Mol. Sci., 13, , 12428-124602012
H. Jakobsson and M.G. LarsonMode superposition with submodelingInternat. J. Numer. Methods Engrg., 90, 6, 739-7512012
Yu, Rixin, Bai, Xue-SongA semi-implicit scheme for large Eddy simulation of piston engine flow and combustionInternational Journal for Numerical Methods in Fluids, 71, 1, 402012
Zhang, Fan, Yu, Rixin, Bai, Xue-SongDetailed numerical simulation of syngas combustion under partially premixed combustion engine conditionsInternational Journal of Hydrogen Energy, 37, 22, 172932012
Helsing, Johan, Johansson, B. TomasFast reconstruction of harmonic functions from Cauchy data using the Dirichlet-to-Neumann map and integral equationsInverse Problems in Science and Engineering, 19, 5, 7272012
Kruczyk M, Zetterberg H, Hansson O, Rolstad S, Minthon L, Wallin A, Blennow K, Komorowski J, Andersson MGMonte Carlo feature selection and rule-based models to predict Alzheimer's disease in mild cognitive impairment.J Neural Transm, 119, 7, 821-312012
J. S. Kudavalli, S. N. Rao, D. E. Bean, N. D. Sharma, D. R. Boyd, P. W. Fowler, S. Gronert, S. C. L. Kamerlin, J. R. Keefe and R. More-O'Ferrall Base-catalyzed dehydration of 3-substituted benzene cis-1,2-dihydrodiols: Stabilization of a cyclohexadienide anion intermediate.J. Am. Chem. Soc., 134, , 14056-140692012
Christian Wennberg, David van der Spoel and Jochen S. HubLarge influence of cholesterol on solute partitioning into lipid membranesJ. Amer. Chem. Soc., 134, , 5351-53612012
Hongqian Yang, David M. Good, David van der Spoel and Roman A. ZubarevFragmentation of gas-phase tryptic peptide dications. I. Carbonyl charge solvation pattern reveals the origin of fragmentation classesJ. Amer. Soc. Mass Spectrom., 23, , 1319-13252012
Daniel S.D. Larsson and David van der SpoelScreening for the Location of RNA using the Chloride Ion Distribution in Simulations of Virus CapsidsJ. Chem. Theor. Comput., 8, , 2474-24832012
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