Berend Smit

Scopus Author ID ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 80

Top Venues

Journal of chemical theory and computation

ACS applied materials & interfaces

Nature communications

Nature

Ecole Polytechnique Federale de Lausanne

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Ecole Polytechnique Federale de Lausanne Jun 01 2014

Switzerland

Professor :: ISIC

University of California Berkeley Jun 01 2008

United States

Professor :: Department of Chemical and Biomolecular Engineering

Publications

Xiaoqi Zhang, Kevin Maik Jablonka, Berend Smit
Deep learning-based recommendation system for metal-organic frameworks (MOFs). Digital discovery 3 (7) (2024)
Miriam J Pougin, Nency Patricio Domingues, F Pelin Uran, Andres Ortega-Guerrero, Christopher P Ireland, Jordi Espín, Wendy L Queen, Berend Smit
Adsorption in Pyrene-Based Metal-Organic Frameworks: The Role of Pore Structure and Topology. ACS applied materials & interfaces 16 (28) (2024)
Charithea Charalambous, Elias Moubarak, Johannes Schilling, Eva Sanchez Fernandez, Jin-Yu Wang, Laura Herraiz, Fergus Mcilwaine, Shing Bo Peh, Matthew Garvin, Kevin Maik Jablonka, Seyed Mohamad Moosavi, Joren Van Herck, Aysu Yurdusen Ozturk, Alireza Pourghaderi, Ah-Young Song, Georges Mouchaham, Christian Serre, Jeffrey A Reimer, Andre Bardow, Berend Smit, Susana García
A holistic platform for accelerating sorbent-based carbon capture. Nature 632 (8023) (2024)
Charithea Charalambous, Elias Moubarak, Johannes Schilling, Eva Sanchez Fernandez, Jin-Yu Wang, Laura Herraiz, Fergus Mcilwaine, Shing Bo Peh, Matthew Garvin, Kevin Maik Jablonka, Seyed Mohamad Moosavi, Joren Van Herck, Aysu Yurdusen Ozturk, Alireza Pourghaderi, Ah-Young Song, Georges Mouchaham, Christian Serre, Jeffrey A Reimer, Andre Bardow, Berend Smit, Susana García
A holistic platform for accelerating sorbent-based carbon capture. Nature 632 (8023) (2024)
Miriam J Pougin, Nency Patricio Domingues, F Pelin Uran, Andres Ortega-Guerrero, Christopher P Ireland, Jordi Espín, Wendy L Queen, Berend Smit
Adsorption in Pyrene-Based Metal-Organic Frameworks: The Role of Pore Structure and Topology. ACS applied materials & interfaces 16 (28) (2024)
Charithea Charalambous, Elias Moubarak, Johannes Schilling, Eva Sanchez Fernandez, Jin-Yu Wang, Laura Herraiz, Fergus Mcilwaine, Shing Bo Peh, Matthew Garvin, Kevin Maik Jablonka, Seyed Mohamad Moosavi, Joren Van Herck, Aysu Yurdusen Ozturk, Alireza Pourghaderi, Ah-Young Song, Georges Mouchaham, Christian Serre, Jeffrey A Reimer, Andre Bardow, Berend Smit, Susana García
A holistic platform for accelerating sorbent-based carbon capture. Nature 632 (8023) (2024)
Charithea Charalambous, Elias Moubarak, Johannes Schilling, Eva Sanchez Fernandez, Jin-Yu Wang, Laura Herraiz, Fergus Mcilwaine, Shing Bo Peh, Matthew Garvin, Kevin Maik Jablonka, Seyed Mohamad Moosavi, Joren Van Herck, Aysu Yurdusen Ozturk, Alireza Pourghaderi, Ah-Young Song, Georges Mouchaham, Christian Serre, Jeffrey A Reimer, Andre Bardow, Berend Smit, Susana García
A holistic platform for accelerating sorbent-based carbon capture. Nature 632 (8023) (2024)
Xiaoqi Zhang, Kevin Maik Jablonka, Berend Smit
Deep learning-based recommendation system for metal-organic frameworks (MOFs). Digital discovery 3 (7) (2024)
Charithea Charalambous, Elias Moubarak, Johannes Schilling, Eva Sanchez Fernandez, Jin-Yu Wang, Laura Herraiz, Fergus Mcilwaine, Shing Bo Peh, Matthew Garvin, Kevin Maik Jablonka, Seyed Mohamad Moosavi, Joren Van Herck, Aysu Yurdusen Ozturk, Alireza Pourghaderi, Ah-Young Song, Georges Mouchaham, Christian Serre, Jeffrey A Reimer, Andre Bardow, Berend Smit, Susana García
A holistic platform for accelerating sorbent-based carbon capture. Nature (2024)
Miriam J Pougin, Nency Patricio Domingues, F Pelin Uran, Andres Ortega-Guerrero, Christopher P Ireland, Jordi Espín, Wendy L Queen, Berend Smit
Adsorption in Pyrene-Based Metal-Organic Frameworks: The Role of Pore Structure and Topology. ACS applied materials & interfaces 16 (28) (2024)
Charithea Charalambous, Elias Moubarak, Johannes Schilling, Eva Sanchez Fernandez, Jin-Yu Wang, Laura Herraiz, Fergus Mcilwaine, Shing Bo Peh, Matthew Garvin, Kevin Maik Jablonka, Seyed Mohamad Moosavi, Joren Van Herck, Aysu Yurdusen Ozturk, Alireza Pourghaderi, Ah-Young Song, Georges Mouchaham, Christian Serre, Jeffrey A Reimer, Andre Bardow, Berend Smit, Susana García
A holistic platform for accelerating sorbent-based carbon capture. Nature 632 (8023) (2024)
Miriam J Pougin, Nency Patricio Domingues, F Pelin Uran, Andres Ortega-Guerrero, Christopher P Ireland, Jordi Espín, Wendy L Queen, Berend Smit
Adsorption in Pyrene-Based Metal-Organic Frameworks: The Role of Pore Structure and Topology. ACS applied materials & interfaces (2024)
Charithea Charalambous, Elias Moubarak, Johannes Schilling, Eva Sanchez Fernandez, Jin-Yu Wang, Laura Herraiz, Fergus Mcilwaine, Shing Bo Peh, Matthew Garvin, Kevin Maik Jablonka, Seyed Mohamad Moosavi, Joren Van Herck, Aysu Yurdusen Ozturk, Alireza Pourghaderi, Ah-Young Song, Georges Mouchaham, Christian Serre, Jeffrey A Reimer, Andre Bardow, Berend Smit, Susana García
A holistic platform for accelerating sorbent-based carbon capture. Nature (2024)
Hannes Gustafsson, Melania Kozdra, Berend Smit, Senja D Barthel, Amber Mace
Predicting Ion Diffusion from the Shape of Potential Energy Landscapes. Journal of chemical theory and computation 20 (1) (2023)
Elias Moubarak, Seyed Mohamad Moosavi, Charithea Charalambous, Susana García, Berend Smit
A Robust Framework for Generating Adsorption Isotherms to Screen Materials for Carbon Capture. Industrial & engineering chemistry research 62 (26) (2023)
Kevin Maik Jablonka, Andrew S Rosen, Aditi S Krishnapriyan, Berend Smit
An Ecosystem for Digital Reticular Chemistry. ACS central science 9 (4) (2023)
Hannes Gustafsson, Melania Kozdra, Berend Smit, Senja D Barthel, Amber Mace
Predicting Ion Diffusion from the Shape of Potential Energy Landscapes. Journal of chemical theory and computation (2023)
Kevin Maik Jablonka, Charithea Charalambous, Eva Sanchez Fernandez, Georg Wiechers, Juliana Monteiro, Peter Moser, Berend Smit, Susana García
Machine learning for industrial processes: Forecasting amine emissions from a carbon capture plant. Science advances 9 (1) (2023)
Hannes Gustafsson, Melania Kozdra, Berend Smit, Senja D Barthel, Amber Mace
Predicting Ion Diffusion from the Shape of Potential Energy Landscapes. Journal of chemical theory and computation 20 (1) (2023)
Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D Bocarsly, Andres M Bran, Stefan Bringuier, L Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A de Jong, Matthew L Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur Kumar Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Ranković, Samuel G Rodriques, Jacob N Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E Smith, Joren Van Herck, Christoph Völker, Logan Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, K J Schmidt, Ian T Foster, Andrew D White, Ben Blaiszik
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon. Digital discovery 2 (5) (2023)
Xiaoli Liu, Nency Patricio Domingues, Emad Oveisi, Clara Coll-Satue, Michelle Maria Theresia Jansman, Berend Smit, Leticia Hosta-Rigau
Metal-organic framework-based oxygen carriers with antioxidant activity resulting from the incorporation of gold nanozymes. Biomaterials science (2023)
Patrick Gäumann, Thomas Rohrbach, Luca Artiglia, Daniele Ongari, Berend Smit, Jeroen Anton van Bokhoven, Marco Ranocchiari
Tandem Hydroformylation-Aldol Condensation Reaction Enabled by Zn-MOF-74. Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Matthew Garvin, Warren A Thompson, Jeannie Z Y Tan, Stavroula Kampouri, Christopher P Ireland, Berend Smit, Adam Brookfield, David Collison, Leila Negahdar, Andrew M Beale, M Mercedes Maroto-Valer, Ruaraidh D McIntosh, Susana Garcia
Highly selective CO 2 photoreduction to CO on MOF-derived TiO 2 . RSC sustainability 1 (3) (2023)
Kevin Maik Jablonka, Andrew S Rosen, Aditi S Krishnapriyan, Berend Smit
An Ecosystem for Digital Reticular Chemistry. ACS central science 9 (4) (2023)
Hannes Gustafsson, Melania Kozdra, Berend Smit, Senja D Barthel, Amber Mace
Predicting Ion Diffusion from the Shape of Potential Energy Landscapes. Journal of chemical theory and computation 20 (1) (2023)
Kevin Maik Jablonka, Charithea Charalambous, Eva Sanchez Fernandez, Georg Wiechers, Juliana Monteiro, Peter Moser, Berend Smit, Susana García
Machine learning for industrial processes: Forecasting amine emissions from a carbon capture plant. Science advances 9 (1) (2023)
Samantha L Anderson, Peter G Boyd, Andrzej Gładysiak, Tu N Nguyen, Robert G Palgrave, Dominik Kubicki, Lyndon Emsley, Darren Bradshaw, Matthew J Rosseinsky, Berend Smit, Kyriakos C Stylianou
Reply to "Inconsistencies in the specific nucleobase pairing motif prone to photodimerization in a MOF nanoreactor". Nature communications 13 (1) (2022)
Seyed Mohamad Moosavi, Balázs Álmos Novotny, Daniele Ongari, Elias Moubarak, Mehrdad Asgari, Özge Kadioglu, Charithea Charalambous, Andres Ortega-Guerrero, Amir H Farmahini, Lev Sarkisov, Susana Garcia, Frank Noé, Berend Smit
A data-science approach to predict the heat capacity of nanoporous materials. Nature materials 21 (12) (2022)
Alicia Lund, G V Manohara, Ah-Young Song, Kevin Maik Jablonka, Christopher P Ireland, Li Anne Cheah, Berend Smit, Susana García, Jeffrey A Reimer
Characterization of Chemisorbed Species and Active Adsorption Sites in Mg-Al Mixed Metal Oxides for High-Temperature CO 2 Capture. Chemistry of materials : a publication of the American Chemical Society 34 (9) (2022)
Nency Patricio Domingues, Seyed Mohamad Moosavi, Leopold Talirz, Kevin Maik Jablonka, Christopher P Ireland, Fatmah Mish Ebrahim, Berend Smit
Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF. Communications chemistry 5 (1) (2022)
Nency Patricio Domingues, Seyed Mohamad Moosavi, Leopold Talirz, Kevin Maik Jablonka, Christopher P Ireland, Fatmah Mish Ebrahim, Berend Smit
Using genetic algorithms to systematically improve the synthesis conditions of Al-PMOF. Communications chemistry 5 (1) (2022)
Henglu Xu, Raffaela Cabriolu, Berend Smit
Effects of Degrees of Freedom on Calculating Diffusion Properties in Nanoporous Materials. Journal of chemical theory and computation 18 (5) (2022)
Kevin Maik Jablonka, Luc Patiny, Berend Smit
Making the collective knowledge of chemistry open and machine actionable. Nature chemistry 14 (4) (2022)
F Pelin Kinik, Andres Ortega-Guerrero, Fatmah Mish Ebrahim, Christopher P Ireland, Ozge Kadioglu, Amber Mace, Mehrdad Asgari, Berend Smit
Toward Optimal Photocatalytic Hydrogen Generation from Water Using Pyrene-Based Metal-Organic Frameworks. ACS applied materials & interfaces 13 (48) (2021)
Kristen A Colwell, Megan N Jackson, Rodolfo M Torres-Gavosto, Sudi Jawahery, Bess Vlaisavljevich, Joseph M Falkowski, Berend Smit, Simon C Weston, Jeffrey R Long
Buffered Coordination Modulation as a Means of Controlling Crystal Morphology and Molecular Diffusion in an Anisotropic Metal-Organic Framework. Journal of the American Chemical Society 143 (13) (2021)
Sauradeep Majumdar, Seyed Mohamad Moosavi, Kevin Maik Jablonka, Daniele Ongari, Berend Smit
Diversifying Databases of Metal Organic Frameworks for High-Throughput Computational Screening. ACS applied materials & interfaces 13 (51) (2021)
Kevin Maik Jablonka, Giriprasad Melpatti Jothiappan, Shefang Wang, Berend Smit, Brian Yoo
Bias free multiobjective active learning for materials design and discovery. Nature communications 12 (1) (2021)
Stavroula Kampouri, Fatmah M Ebrahim, Maria Fumanal, Makenzie Nord, Pascal A Schouwink, Radwan Elzein, Rafik Addou, Gregory S Herman, Berend Smit, Christopher P Ireland, Kyriakos C Stylianou
Enhanced Visible-Light-Driven Hydrogen Production through MOF/MOF Heterojunctions. ACS applied materials & interfaces 13 (12) (2021)
F Pelin Kinik, Andres Ortega-Guerrero, Daniele Ongari, Christopher P Ireland, Berend Smit
Pyrene-based metal organic frameworks: from synthesis to applications. Chemical Society reviews 50 (5) (2021)
Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit
Using collective knowledge to assign oxidation states of metal cations in metal-organic frameworks. Nature chemistry 13 (8) (2021)
Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit
Big-Data Science in Porous Materials: Materials Genomics and Machine Learning. Chemical reviews 120 (16) (2020)
Seyed Mohamad Moosavi, Aditya Nandy, Kevin Maik Jablonka, Daniele Ongari, Jon Paul Janet, Peter G Boyd, Yongjin Lee, Berend Smit, Heather J Kulik
Understanding the diversity of the metal-organic framework ecosystem. Nature communications 11 (1) (2020)
Leopold Talirz, Snehal Kumbhar, Elsa Passaro, Aliaksandr V Yakutovich, Valeria Granata, Fernando Gargiulo, Marco Borelli, Martin Uhrin, Sebastiaan P Huber, Spyros Zoupanos, Carl S Adorf, Casper Welzel Andersen, Ole Schütt, Carlo A Pignedoli, Daniele Passerone, Joost VandeVondele, Thomas C Schulthess, Berend Smit, Giovanni Pizzi, Nicola Marzari
Materials Cloud, a platform for open computational science. Scientific data 7 (1) (2020)
Jefferson Maul, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit, Alessandro Erba
Thermoelasticity of Flexible Organic Crystals from Quasi-harmonic Lattice Dynamics: The Case of Copper(II) Acetylacetonate. The journal of physical chemistry letters 11 (20) (2020)
Seyed Mohamad Moosavi, Henglu Xu, Linjiang Chen, Andrew I Cooper, Berend Smit
Geometric landscapes for material discovery within energy-structure-function maps. Chemical science 11 (21) (2020)
Kevin Maik Jablonka, Seyed Mohamad Moosavi, Mehrdad Asgari, Christopher P Ireland, Luc Patiny, Berend Smit
A data-driven perspective on the colours of metal-organic frameworks. Chemical science 12 (10) (2020)
Seyed Mohamad Moosavi, Kevin Maik Jablonka, Berend Smit
The Role of Machine Learning in the Understanding and Design of Materials. Journal of the American Chemical Society (2020)
Samantha L Anderson, Davide Tiana, Christopher P Ireland, Gloria Capano, Maria Fumanal, Andrzej Gładysiak, Stavroula Kampouri, Aiman Rahmanudin, Nestor Guijarro, Kevin Sivula, Kyriakos C Stylianou, Berend Smit
Taking lanthanides out of isolation: tuning the optical properties of metal-organic frameworks. Chemical science 11 (16) (2020)
Kathryn S Deeg, D Damasceno Borges, Daniele Ongari, Nakul Rampal, Leopold Talirz, Aliaksandr V Yakutovich, Johanna M Huck, Berend Smit
In Silico Discovery of Covalent Organic Frameworks for Carbon Capture. ACS applied materials & interfaces 12 (19) (2020)
Gerald Bauer, Daniele Ongari, Davide Tiana, Patrick Gäumann, Thomas Rohrbach, Gerard Pareras, Mohamed Tarik, Berend Smit, Marco Ranocchiari
Metal-organic frameworks as kinetic modulators for branched selectivity in hydroformylation. Nature communications 11 (1) (2020)
Matthew D Witman, Bradley Wright, Berend Smit
Simulating Enhanced Methane Deliverable Capacity of Guest Responsive Pores in Intrinsically Flexible MOFs. The journal of physical chemistry letters 10 (19) (2019)
Jun Xu, Yifei Michelle Liu, Andrew S Lipton, Jinxing Ye, Gina L Hoatson, Phillip J Milner, Thomas M McDonald, Rebecca L Siegelman, Alexander C Forse, Berend Smit, Jeffrey R Long, Jeffrey A Reimer
Amine Dynamics in Diamine-Appended Mg2(dobpdc) Metal-Organic Frameworks. The journal of physical chemistry letters 10 (22) (2019)
Daniele Ongari, Yifei Michelle Liu, Berend Smit
Can Metal-Organic Frameworks Be Used for Cannabis Breathalyzers? ACS applied materials & interfaces 11 (38) (2019)
Amber Mace, Senja D Barthel, Berend Smit
Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field. Journal of chemical theory and computation 15 (4) (2019)
Jenny G Vitillo, Berend Smit, Soumen Ghosh
Introduction: Carbon Capture and Separation. Chemical reviews 117 (14) (2019)
Li Peng, Shuliang Yang, Sudi Jawahery, Seyed Mohamad Moosavi, Aron J Huckaba, Mehrdad Asgari, Emad Oveisi, Mohammad Kahaj Khaja Nazeeruddin, Berend Smit, Wendy L Queen
Preserving Porosity of Mesoporous Metal-Organic Frameworks through the Introduction of Polymer Guests. Journal of the American Chemical Society 141 (31) (2019)
Benjamin Meyer, Senja D Barthel, Amber Mace, Laurent Vannay, Benoit Guillot, Berend Smit, Clémence Corminbœuf
DORI Reveals the Influence of Noncovalent Interactions on Covalent Bonding Patterns in Molecular Crystals Under Pressure. The journal of physical chemistry letters 10 (7) (2019)
Maria A Syzgantseva, Christopher Patrick Ireland, Fatmah Mish Ebrahim, Berend Smit, Olga A Syzgantseva
Metal Substitution as the Method of Modifying Electronic Structure of Metal-Organic Frameworks. Journal of the American Chemical Society 141 (15) (2019)
Kevin Maik Jablonka, Daniele Ongari, Berend Smit
Applicability of Tail Corrections in the Molecular Simulations of Porous Materials. Journal of chemical theory and computation 15 (10) (2019)
Sudi Jawahery, Nakul Rampal, Seyed Mohamad Moosavi, Matthew D Witman, Berend Smit
Ab Initio Flexible Force Field for Metal-Organic Frameworks Using Dummy Model Coordination Bonds. Journal of chemical theory and computation 15 (6) (2019)
Seyed Mohamad Moosavi, Arunraj Chidambaram, Leopold Talirz, Maciej Haranczyk, Kyriakos C Stylianou, Berend Smit
Capturing chemical intuition in synthesis of metal-organic frameworks. Nature communications 10 (1) (2019)
Samantha L Anderson, Peter G Boyd, Andrzej Gładysiak, Tu N Nguyen, Robert G Palgrave, Dominik Kubicki, Lyndon Emsley, Darren Bradshaw, Matthew J Rosseinsky, Berend Smit, Kyriakos C Stylianou
Nucleobase pairing and photodimerization in a biologically derived metal-organic framework nanoreactor. Nature communications 10 (1) (2019)
Sanghoon Park, Baekjun Kim, Sihoon Choi, Peter G Boyd, Berend Smit, Jihan Kim
Text Mining Metal-Organic Framework Papers. Journal of chemical information and modeling 58 (2) (2018)
Efrem Braun, Seyed Mohamad Moosavi, Berend Smit
Anomalous Effects of Velocity Rescaling Algorithms: The Flying Ice Cube Effect Revisited. Journal of chemical theory and computation 14 (10) (2018)
Andrzej Gładysiak, Kathryn S Deeg, Iurii N Dovgaliuk, Arunraj Chidambaram, Kaili Ordiz, Peter G Boyd, Seyed Mohamad Moosavi, Daniele Ongari, Jorge A R Navarro, Berend Smit, Kyriakos C Stylianou
Biporous Metal-Organic Framework with Tunable CO2/CH4 Separation Performance Facilitated by Intrinsic Flexibility. ACS applied materials & interfaces 10 (42) (2018)
Efrem Braun, Yongjin Lee, Seyed Mohamad Moosavi, Senja D Barthel, Rocío Mercado, Igor A Baburin, Davide M Proserpio, Berend Smit
Generating carbon schwarzites via zeolite-templating. Proceedings of the National Academy of Sciences of the United States of America 115 (35) (2018)
Alexander C Forse, Miguel I Gonzalez, Rebecca L Siegelman, Velencia J Witherspoon, Sudi Jawahery, Rocio Mercado, Phillip J Milner, Jeffrey D Martell, Berend Smit, Bernhard Blümich, Jeffrey R Long, Jeffrey A Reimer
Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal-Organic Framework Zn2(dobpdc). Journal of the American Chemical Society 140 (5) (2018)
Tu N Nguyen, Stavroula Kampouri, Bardiya Valizadeh, Wen Luo, Daniele Ongari, Ophélie Marie Planes, Andreas Züttel, Berend Smit, Kyriakos C Stylianou
Photocatalytic Hydrogen Generation from a Visible-Light-Responsive Metal-Organic Framework System: Stability versus Activity of Molybdenum Sulfide Cocatalysts. ACS applied materials & interfaces 10 (36) (2018)
Marco Taddei, Davide Tiana, Nicola Casati, Jeroen A van Bokhoven, Berend Smit, Marco Ranocchiari
Mixed-linker UiO-66: structure-property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations. Physical chemistry chemical physics : PCCP 19 (2) (2018)
Andrzej Gładysiak, Tu N Nguyen, Samantha L Anderson, Peter G Boyd, Robert G Palgrave, John Bacsa, Berend Smit, Matthew J Rosseinsky, Kyriakos C Stylianou
Shedding Light on the Protonation States and Location of Protonated N Atoms of Adenine in Metal-Organic Frameworks. Inorganic chemistry 57 (4) (2018)
Daniele Ongari, Peter G Boyd, Ozge Kadioglu, Amber K Mace, Seda Keskin, Berend Smit
Evaluating Charge Equilibration Methods To Generate Electrostatic Fields in Nanoporous Materials. Journal of chemical theory and computation 15 (1) (2018)
Matthew D Witman, Nathan A Mahynski, Berend Smit
Flat-Histogram Monte Carlo as an Efficient Tool To Evaluate Adsorption Processes Involving Rigid and Deformable Molecules. Journal of chemical theory and computation 14 (12) (2018)
Yongjin Lee, Senja D Barthel, Paweł Dłotko, Seyed Mohamad Moosavi, Kathryn Hess, Berend Smit
High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites. Journal of chemical theory and computation 14 (8) (2018)
Bess Vlaisavljevich, Johanna Huck, Zeric Hulvey, Kyuho Lee, Jarad A Mason, Jeffrey B Neaton, Jeffrey R Long, Craig M Brown, Dario Alfè, Angelos Michaelides, Berend Smit
Performance of van der Waals Corrected Functionals for Guest Adsorption in the M2(dobdc) Metal-Organic Frameworks. The journal of physical chemistry. A 121 (21) (2017)
Matthew D Witman, Sanliang Ling, Sudi Jawahery, Peter G Boyd, Maciej Haranczyk, Ben Slater, Berend Smit
The Influence of Intrinsic Framework Flexibility on Adsorption in Nanoporous Materials. Journal of the American Chemical Society 139 (15) (2017)
Peter G Boyd, Seyed Mohamad Moosavi, Matthew Witman, Berend Smit
Force-Field Prediction of Materials Properties in Metal-Organic Frameworks. The journal of physical chemistry letters 8 (2) (2017)
Gerald Bauer, Daniele Ongari, Xiaoying Xu, Davide Tiana, Berend Smit, Marco Ranocchiari
Metal-Organic Frameworks Invert Molecular Reactivity: Lewis Acidic Phosphonium Zwitterions Catalyze the Aldol-Tishchenko Reaction. Journal of the American Chemical Society 139 (50) (2017)
Daniele Ongari, Peter G Boyd, Senja Barthel, Matthew D Witman, Maciej Haranczyk, Berend Smit
Accurate Characterization of the Pore Volume in Microporous Crystalline Materials. Langmuir : the ACS journal of surfaces and colloids 33 (51) (2017)
Matthew Witman, Sanliang Ling, Samantha Anderson, Lianheng Tong, Kyriakos C Stylianou, Ben Slater, Berend Smit, Maciej Haranczyk
In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis. Chemical science 7 (9) (2016)
Debasis Banerjee, Cory M Simon, Anna M Plonka, Radha K Motkuri, Jian Liu, Xianyin Chen, Berend Smit, John B Parise, Maciej Haranczyk, Praveen K Thallapally
Metal-organic framework with optimally selective xenon adsorption and separation. Nature communications 7 (2016)
Bess Vlaisavljevich, Samuel O Odoh, Sondre K Schnell, Allison L Dzubak, Kyuho Lee, Nora Planas, Jeffrey B Neaton, Laura Gagliardi, Berend Smit
CO2 induced phase transitions in diamine-appended metal-organic frameworks. Chemical science 6 (9) (2015)

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Publication Activity (10 Years)

Top Topics

Top Venues

Berend Smit