Berend Smit

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Daan FrenkelUniversity of Cambridge, UKVerified email at cam.ac.uk
Maciej HaranczykIMDEA MaterialsVerified email at imdea.org
Jeffrey R LONGDepartment of Chemistry, University of California, BerkeleyVerified email at berkeley.edu
Li-Chiang LinChemical Engineering, National Taiwan University and the Ohio State UniversityVerified email at ntu.edu.tw
Thijs VlugtProfessor and Chair Engineering ThermodynamicsVerified email at tudelft.nl
Rajamani KrishnaProfessor, University of AmsterdamVerified email at contact.uva.nl
Mohamad MoosaviAssistant Professor, University of TorontoVerified email at utoronto.ca
Sofia CaleroFull Professor, Eindhoven University of TechnologyVerified email at tue.nl
Jeffrey B. NeatonUniversity of California, Berkeley & Lawrence Berkeley National LaboratoryVerified email at berkeley.edu
Jihan KimKAISTVerified email at kaist.ac.kr
Kyriakos StylianouOregon State UniversityVerified email at oregonstate.edu
David DubbeldamUniversity of AmsterdamVerified email at uva.nl
Daniele OngariData Scientist @ Solvay | PhD & PostDoc from EPFL | ChemEng from PoliMIVerified email at solvay.com
sami karaborniXenoport, IncVerified email at xenoport.com
Kevin Maik JablonkaEPFLVerified email at epfl.ch
Cory M. SimonAssistant Professor, Oregon State UniversityVerified email at oregonstate.edu
Peter G. BoydÉcole polytechnique fédérale de LausanneVerified email at epfl.ch
Jeffrey A. REIMERProfessor of Chemical Engineering, University of California BerkeleyVerified email at berkeley.edu
Edith BeerdsenTemple Law SchoolVerified email at temple.edu
Susana GarciaHeriot-Watt UniversityVerified email at hw.ac.uk

Berend Smit

College of Chemistry, UC Berkeley and EPFL

Verified email at epfl.ch - Homepage

molecular simulation carbon capture zeolites Monte Carlo


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Understanding Molecular Simulations (2nd edition) D Frenkel, B Smit Understanding Molecular Simulations, 2002	22031*	2002
Carbon dioxide capture: prospects for new materials DM D'Alessandro, B Smit, JR Long Angewandte Chemie International Edition 49 (35), 6058-6082, 2010	3946	2010
Carbon capture and storage (CCS): the way forward M Bui, CS Adjiman, A Bardow, EJ Anthony, A Boston, S Brown, ... Energy & Environmental Science 11 (5), 1062-1176, 2018	2432	2018
Cooperative insertion of CO₂ in diamine-appended metal-organic frameworks TM McDonald, JA Mason, X Kong, ED Bloch, D Gygi, A Dani, V Crocella, ... Nature 519 (7543), 303-308, 2015	1015	2015
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity B Smit, TLM Maesen Chemical reviews 108 (10), 4125-4184, 2008	750	2008
Novel scheme to study structural and thermal properties of continuously deformable molecules D Frenkel, G Mooij, B Smit Journal of Physics: Condensed Matter 4 (12), 3053, 1992	692	1992
Computer simulations of vapor–liquid phase equilibria of n‐alkanes B Smit, S Karaborni, JI Siepmann The Journal of chemical physics 102 (5), 2126-2140, 1995	620	1995
In silico screening of carbon-capture materials LC Lin, AH Berger, RL Martin, J Kim, JA Swisher, K Jariwala, CH Rycroft, ... Nature materials 11 (7), 633-641, 2012	600	2012
Molecular simulations of adsorption isotherms for linear and branched alkanes and their mixtures in silicalite TJH Vlugt, R Krishna, B Smit The Journal of Physical Chemistry B 103 (7), 1102-1118, 1999	587	1999
Simulating the critical behaviour of complex fluids JI Siepmann, S Karaborni, B Smit Nature 365 (6444), 330-332, 1993	582	1993
Towards a molecular understanding of shape selectivity B Smit, TLM Maesen Nature 451 (7179), 671-678, 2008	572	2008
Phase diagrams of Lennard‐Jones fluids B Smit The Journal of chemical physics 96 (11), 8639-8640, 1992	560	1992
Metal− organic frameworks as adsorbents for hydrogen purification and precombustion carbon dioxide capture ZR Herm, JA Swisher, B Smit, R Krishna, JR Long Journal of the American Chemical Society 133 (15), 5664-5667, 2011	519	2011
Selective Binding of O₂ over N₂ in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites ED Bloch, LJ Murray, WL Queen, S Chavan, SN Maximoff, JP Bigi, ... Journal of the American Chemical Society 133 (37), 14814-14822, 2011	494	2011
The swelling of clays: molecular simulations of the hydration of montmorillonite S Karaborni, B Smit, W Heidug, J Urai, E Van Oort Science 271 (5252), 1102-1104, 1996	487	1996
Effect of cholesterol on the structure of a phospholipid bilayer F de Meyer, B Smit Proceedings of the National Academy of Sciences 106 (10), 3654-3658, 2009	475	2009
Why clays swell EJM Hensen, B Smit The Journal of Physical Chemistry B 106 (49), 12664-12667, 2002	459	2002
Mapping of functional groups in metal-organic frameworks X Kong, H Deng, F Yan, J Kim, JA Swisher, B Smit, OM Yaghi, JA Reimer Science 341 (6148), 882-885, 2013	449	2013
United atom force field for alkanes in nanoporous materials D Dubbeldam, S Calero, TJH Vlugt, R Krishna, TLM Maesen, B Smit The Journal of Physical Chemistry B 108 (33), 12301-12313, 2004	386	2004
Computer simulations in the Gibbs ensemble B Smit, P De Smedt, D Frenkel Molecular physics 68 (4), 931-950, 1989	386	1989

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