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
Mohamad MoosaviAssistant Professor, University of TorontoVerified email at utoronto.ca
Thijs VlugtProfessor and Chair Engineering ThermodynamicsVerified email at tudelft.nl
Rajamani KrishnaProfessor, University of AmsterdamVerified email at uva.nl
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
Richard L MartinLos Alamos National LaboratoryVerified email at lanl.gov
Kevin Maik JablonkaFSU Jena & HIPOLE JenaVerified email at uni-jena.de
David DubbeldamUniversity of AmsterdamVerified email at uva.nl
Daniele OngariData Scientist @ SYENSQO | PhD & PostDoc from EPFL | ChemEng from PoliMIVerified email at syensqo.com
sami karaborniXenoport, IncVerified email at xenoport.com
Susana GarciaHeriot-Watt UniversityVerified email at hw.ac.uk
Peter G. BoydÉcole polytechnique fédérale de LausanneVerified email at epfl.ch
Cory M. SimonAssociate Professor, Oregon State UniversityVerified email at oregonstate.edu
Laura GagliardiUniversity of ChicagoVerified email at uchicago.edu

Berend Smit

Ecole Polytechnique Fédérale de Lausanne (EPFL)

Verified email at epfl.ch - Homepage

Molecular simulation carbon capture


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Understanding molecular simulation: from algorithms to applications D Frenkel, B Smit Elsevier, 2023	22615	2023
Carbon dioxide capture: prospects for new materials DM D'Alessandro, B Smit, JR Long Angewandte Chemie International Edition 49 (35), 6058-6082, 2010	4182	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	3142	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	1155	2015
Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity B Smit, TLM Maesen Chemical reviews 108 (10), 4125-4184, 2008	811	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	668	1992
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	642	2012
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	623	1995
Towards a molecular understanding of shape selectivity B Smit, TLM Maesen Nature 451 (7179), 671-678, 2008	620	2008
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	597	1999
Simulating the critical behaviour of complex fluids JI Siepmann, S Karaborni, B Smit Nature 365 (6444), 330-332, 1993	597	1993
Phase diagrams of Lennard‐Jones fluids B Smit The Journal of chemical physics 96 (11), 8639-8640, 1992	583	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	563	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	533	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	508	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	507	2009
Data-driven design of metal–organic frameworks for wet flue gas CO₂ capture PG Boyd, A Chidambaram, E García-Díez, CP Ireland, TD Daff, R Bounds, ... Nature 576 (7786), 253-256, 2019	503	2019
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	479	2013
Why clays swell EJM Hensen, B Smit The Journal of Physical Chemistry B 106 (49), 12664-12667, 2002	479	2002
Direct air capture of CO2 with chemicals: a technology assessment for the APS Panel on Public Affairs R Socolow, M Desmond, R Aines, J Blackstock, O Bolland, T Kaarsberg, ... American Physical Society, 2011	409*	2011

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