| Conjugated block copolymer photovoltaics with near 3% efficiency through microphase separation C Guo, YH Lin, MD Witman, KA Smith, C Wang, A Hexemer, J Strzalka, ... Nano letters 13 (6), 2957-2963, 2013 | 313 | 2013 |
| Force-field prediction of materials properties in metal-organic frameworks PG Boyd, SM Moosavi, M Witman, B Smit The journal of physical chemistry letters 8 (2), 357-363, 2017 | 216 | 2017 |
| Accurate characterization of the pore volume in microporous crystalline materials D Ongari, PG Boyd, S Barthel, M Witman, M Haranczyk, B Smit Langmuir 33 (51), 14529-14538, 2017 | 205 | 2017 |
| The influence of intrinsic framework flexibility on adsorption in nanoporous materials M Witman, S Ling, S Jawahery, PG Boyd, M Haranczyk, B Slater, B Smit Journal of the American Chemical Society 139 (15), 5547-5557, 2017 | 117 | 2017 |
| Rational design of a low-cost, high-performance metal–organic framework for hydrogen storage and carbon capture M Witman, S Ling, A Gladysiak, KC Stylianou, B Smit, B Slater, ... The Journal of Physical Chemistry C 121 (2), 1171-1181, 2017 | 100 | 2017 |
| Challenges to developing materials for the transport and storage of hydrogen MD Allendorf, V Stavila, JL Snider, M Witman, ME Bowden, K Brooks, ... Nature Chemistry 14 (11), 1214-1223, 2022 | 90 | 2022 |
| In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis M Witman, S Ling, S Anderson, L Tong, KC Stylianou, B Slater, B Smit, ... Chemical Science 7, 6263-6272, 2016 | 81 | 2016 |
| Elucidating the effects of the composition on hydrogen sorption in TiVZrNbHf-based high-entropy alloys G Ek, MM Nygård, AF Pavan, J Montero, PF Henry, MH Sørby, M Witman, ... Inorganic Chemistry 60 (2), 1124-1132, 2020 | 61 | 2020 |
| What lies beneath a metal–organic framework crystal structure? New design principles from unexpected behaviors MD Allendorf, V Stavila, M Witman, CK Brozek, CH Hendon Journal of the American Chemical Society 143 (18), 6705-6723, 2021 | 51 | 2021 |
| Extracting an empirical intermetallic hydride design principle from limited data via interpretable machine learning M Witman, S Ling, DM Grant, GS Walker, S Agarwal, V Stavila, ... The Journal of Physical Chemistry Letters 11 (1), 40-47, 2019 | 41 | 2019 |
| Magnesium-and intermetallic alloys-based hydrides for energy storage: modelling, synthesis and properties L Pasquini, K Sakaki, E Akiba, MD Allendorf, E Alvares, JR Ares, D Babai, ... Progress in energy 4 (3), 032007, 2022 | 40 | 2022 |
| Data-driven discovery and synthesis of high entropy alloy hydrides with targeted thermodynamic stability M Witman, G Ek, S Ling, J Chames, S Agarwal, J Wong, MD Allendorf, ... Chemistry of Materials 33 (11), 4067-4076, 2021 | 37 | 2021 |
| Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites M Witman, S Ling, P Boyd, S Barthel, M Haranczyk, B Slater, B Smit ACS Central Science 4 (2), 235-245, 2018 | 36 | 2018 |
| Adsorbate-induced lattice deformation in IRMOF-74 series S Jawahery, CM Simon, E Braun, M Witman, D Tiana, B Vlaisavljevich, ... Nature communications 8 (1), 1-9, 2017 | 36 | 2017 |
| Sim-to-real transfer reinforcement learning for control of thermal effects of an atmospheric pressure plasma jet M Witman, D Gidon, DB Graves, B Smit, A Mesbah Plasma Sources Science and Technology 28 (9), 095019, 2019 | 33 | 2019 |
| Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights A Datar, M Witman, LC Lin AIChE Journal 67 (12), e17447, 2021 | 22 | 2021 |
| Fundamentals of hydrogen storage in nanoporous materials L Zhang, MD Allendorf, R Balderas-Xicohténcatl, DP Broom, ... Progress in Energy 4 (4), 042013, 2022 | 20 | 2022 |
| Improving computational assessment of porous materials for water adsorption applications via flat histogram methods A Datar, M Witman, LC Lin The Journal of Physical Chemistry C 125 (7), 4253-4266, 2021 | 20 | 2021 |
| The effect of 10 at.% Al addition on the hydrogen storage properties of the Ti0. 33V0. 33Nb0. 33 multi-principal element alloy N Pineda-Romero, M Witman, V Stavila, C Zlotea Intermetallics 146, 107590, 2022 | 19 | 2022 |
| Simulating enhanced methane deliverable capacity of guest responsive pores in intrinsically flexible MOFs M Witman, B Wright, B Smit The journal of physical chemistry letters 10 (19), 5929-5934, 2019 | 18 | 2019 |
Vitalie StavilaSandia National LaboratoriesVerified email at sandia.gov
