Lev Sarkisov

2025

Advanced Insights into the Role of Interfacial Defect Morphology in Mixed Matrix Membrane Gas Transport

Ghasemi, M., Sarkisov, L., Budd, P. & Babaei, M., 19 Feb 2025, (Accepted/In press) In: Journal of Membrane Science.

Research output: Contribution to journal › Article › peer-review

Exploring the limits of csq-Zr-MOFs in Adsorption Heat Pumps: a computational study of their potential for cooling and heating applications

Suyetin, M., Peskov, M. V., Schwingenschlögl, U. & Sarkisov, L., 1 Feb 2025, In: Adsorption. 31, 2, 38.

Research output: Contribution to journal › Article › peer-review

Open Access

Inverse design of metal-organic frameworks using deep dreaming approaches

Cleeton, C. & Sarkisov, L., 23 May 2025, In: Nature Communications. 16, 1, 14 p., 4806.

Research output: Contribution to journal › Article › peer-review

2024

Engineering Machine Learning Features to Predict Adsorption of Carbon Dioxide and Nitrogen in Metal-Organic Frameworks

Deng, Z. & Sarkisov, L., 20 Jun 2024, In: Journal of Physical Chemistry C. 128, 24, p. 10202-10215 14 p.

Research output: Contribution to journal › Article › peer-review

Open Access

How 2D Nanoflakes Improve Transport in Mixed Matrix Membranes: Insights from a Simple Lattice Model and Dynamic Mean Field Theory

Yuan, T. & Sarkisov, L., 14 Feb 2024, In: ACS applied materials & interfaces. 16, 6, p. 8184-8195 12 p.

Research output: Contribution to journal › Article › peer-review

Open Access

Improving separation of CH4 and N2 by adsorption on zeolite Y Ion–Exchanged with ammonium Cations: An experimental and Grand-Canonical Monte Carlo (GCMC) simulation investigation

Pouya, E., Farmahini, A., Sadeghi, P., Peikert, K., Sarkisov, L., May, E. & Arami-Niya, A., 5 May 2024, In: Chemical Engineering Science. 289, 14 p., 119819.

Research output: Contribution to journal › Article › peer-review

Open Access

Multi-Scale Computational Design of Metal-Organic Frameworks for Carbon Capture Using Machine Learning and Multi-Objective Optimization

Deng, Z. & Sarkisov, L., 25 Sept 2024, In: Chemistry of Materials. 36, 19, p. 9806-9821 16 p.

Research output: Contribution to journal › Article › peer-review

Shape Engineering for Improved Gas Separation: Computation-Driven Insights on Harnessing Platonic Particles in Mixed-Matrix Membranes

Ghasemi, M., Omrani, S., Rabbani, A., Sarkisov, L. & Babaei, M., 16 Apr 2024, (Accepted/In press) In: Journal of Membrane Science.

Research output: Contribution to journal › Article › peer-review

2023

A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture

Cleeton, C., de Oliveira, F., Neumann, R., Farmahini, A., Luan, B., Steiner, M. & Sarkisov, L., 1 Sept 2023, In: Energy & Environmental Science. 16, 9, p. 3899-3918 20 p.

Research output: Contribution to journal › Article › peer-review

Open Access

Crafted: An exploratory database of simulated adsorption isotherms of metal-organic frameworks

Oliveira, F. L., Cleeton, C., Neumann Barros Ferreira, R., Luan, B., Farmahini, A. H., Sarkisov, L. & Steiner, M., 20 Apr 2023, In: Scientific Data. 10, 1, 12 p.

Research output: Contribution to journal › Article › peer-review

Open Access

In silico engineering of ion-exchanged zeolites for high-performance carbon capture in PSA processes

Deng, Z., Gopalan, A. & Sarkisov, L., 1 Mar 2023, In: Chemical Engineering Journal.

Research output: Contribution to journal › Article › peer-review

Open Access

Simple lattice model explains equilibrium separation phenomena in glassy polymers

Yuan, T., De Angelis, M. & Sarkisov, L., 7 Aug 2023, In: Journal of Chemical Physics. 159, 5, 10 p., 054705.

Research output: Contribution to journal › Article › peer-review

Unveiling the synthesis patterns of nanomaterials: a text mining and meta-analysis approach with ZIF-8 as a case study

Manning, J. R. H. & Sarkisov, L., 1 Dec 2023, In: Digital Discovery. 2, 6, p. 1783-1796 14 p.

Research output: Contribution to journal › Article › peer-review

Open Access

2022

A data-science approach to predict the heat capacity of nanoporous materials

Moosavi, S. M., Novotny, B. A., Ongari, D., Moubarak, E., Asgari, M., Kadioglu, O., Charalambous, C., Ortega-Guerrero, A., Farmahini, A. H., Sarkisov, L., Garcia, S., Noe, F. & Smit, B., 13 Oct 2022, In: Nature Materials.

Research output: Contribution to journal › Article › peer-review

Comment on the applicability of the Gurvich rule for estimation of pore volume in microporous zeolites

Farmahini, A. H., Limbada, K. & Sarkisov, L., 25 Aug 2022, In: Adsorption. 28, 5-6, p. 219-230 12 p.

Research output: Contribution to journal › Article › peer-review

Open Access

Lattice Model of Fluid Transport in Mixed Matrix Membranes

Yuan, T. & Sarkisov, L., 15 Jul 2022, In: Advanced Theory and Simulations. 5, 9, 2200159.

Research output: Contribution to journal › Article › peer-review

Open Access

Performance-based ranking of porous materials for PSA carbon capture under the uncertainty of experimental data

Cleeton, C., Farmahini, A. H. & Sarkisov, L., 1 Jun 2022, In: Chemical Engineering Journal. 437, 135395.

Research output: Contribution to journal › Article › peer-review

2021

Activity coefficient models for accurate prediction of adsorption azeotropes

Luberti, M., Mennitto, R., Brandani, S., Santori, G. & Sarkisov, L., Nov 2021, In: Adsorption. 27, 8, p. 1191-1206

Research output: Contribution to journal › Article › peer-review

Open Access

Application of the dynamic mean field theory to fluid transport in slit pores

Yuan, T., Farmahini, A. H. & Sarkisov, L., 21 Aug 2021, In: The Journal of chemical physics. 155, 7, 0060776.

Research output: Contribution to journal › Article › peer-review

Open Access

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MOF materials as therapeutic agents, drug carriers, imaging agents and biosensors in cancer biomedicine: Recent advances and perspectives

Bieniek, A., Terzyk, A. P., Wiśniewski, M., Roszek, K., Kowalczyk, P., Sarkisov, L., Keskin, S. & Kaneko, K., 1 Apr 2021, In: Progress In Materials Science. 117, 100743.

Research output: Contribution to journal › Article › peer-review

Open Access

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Nanostructures of Ionic Liquids Confined in Pores of SBA-15: Insights from Experimental Studies and Mean-Field Density Functional Theory

Lapshin, D. N., Gromov, A. V., Campbell, E. E. B. & Sarkisov, L., 17 Sept 2021, In: The Journal of Physical Chemistry C. 125, 38, p. 21254-21269 16 p.

Research output: Contribution to journal › Article › peer-review

Open Access

Water Dynamics in NH2-MIL-125: Insights from a Combined1H NMR Relaxometry and Computational Investigation

Pizzanelli, S., Freni, A., Farmahini, A. H., Gordeeva, L. G., Sarkisov, L., Solovyeva, M. V. & Forte, C., 8 Jul 2021, In: The Journal of Physical Chemistry C. 125, 26, p. 14416-14429 14 p.

Research output: Contribution to journal › Article › peer-review

Open Access

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2020

Competitive H₂S – CO₂ absorption in reactive aqueous methyldiethanolamine solution: Prediction with ePC-SAFT

Cleeton, C., Kvam, O., Rea, R., Sarkisov, L. & De Angelis, M. G., 1 May 2020, In: Fluid Phase Equilibria. 511, 112453.

Research output: Contribution to journal › Article › peer-review

Open Access

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Exploring new sources of efficiency in process-driven materials screening for post-combustion carbon capture

Farmahini, A. H., Friedrich, D., Brandani, S. & Sarkisov, L., 2020, In: Energy & Environmental Science.

Research output: Contribution to journal › Article › peer-review

Open Access

Materials Informatics with PoreBlazer v4.0 and the CSD MOF Database

Sarkisov, L., Bueno-Perez, R., Sutharson, M. & Fairen-Jimenez, D., 27 Nov 2020, (E-pub ahead of print) In: Chemistry of Materials.

Research output: Contribution to journal › Article › peer-review

Open Access

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On competitive gas adsorption and absorption phenomena in thin films of ionic liquids

Lapshin, D. N., Jorge, M., Campbell, E. E. B. & Sarkisov, L., 21 Jun 2020, In: Journal of Materials Chemistry A. 8, 23, p. 11781-11799 19 p.

Research output: Contribution to journal › Article › peer-review

Open Access

On the Universality of Capillary Condensation and Adsorption Hysteresis Phenomena in Ordered and Crystalline Mesoporous Materials

Cychosz Struckhoff, K., Thommes, M. & Sarkisov, L., 2020, In: Advanced Materials Interfaces. p. 2000184

Research output: Contribution to journal › Article › peer-review

Open Access

2019

Deciphering the Relations between Pore Structure and Adsorption Behavior in Metal-Organic Frameworks: Unexpected Lessons from Argon Adsorption on Copper-Benzene-1,3,5-tricarboxylate

Dantas, S., Sarkisov, L. & Neimark, A. V., 29 May 2019, In: Journal of the American Chemical Society. 141, 21, p. 8397-8401

Research output: Contribution to journal › Article › peer-review

Open Access

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Exploring the thermodynamic criteria for responsive adsorption processes

Evans, J. D., Krause, S., Kaskel, S., Sweatman, M. B. & Sarkisov, L., 21 May 2019, In: Chemical Science. 10, 19, p. 5011-5017

Research output: Contribution to journal › Article › peer-review

Open Access

Guest-dependent negative thermal expansion in a lanthanide-based metal-organic framework

Gladysiak, A., Moosavi, S. M., Sarkisov, L., Smit, B. & Stylianou, K. C., 21 Sept 2019, In: CrystEngComm. 21, 35, p. 5292-5298

Research output: Contribution to journal › Article › peer-review

Solubility prediction in mixed solvents: A combined molecular simulation and experimental approach

Kvam, O. & Sarkisov, L., 1 Apr 2019, In: Fluid Phase Equilibria. 484, p. 26-37

Research output: Contribution to journal › Article › peer-review

Open Access

Structure and dynamics of water in molecular models of hydrated polyvinylamine membranes

Fayon, P. & Sarkisov, L., 28 Dec 2019, In: Physical Chemistry Chemical Physics. 21, 48, p. 26453-26465

Research output: Contribution to journal › Article › peer-review

Open Access

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2018

Automated analysis and benchmarking of GCMC simulation programs in application to gas adsorption

Gowers, R. J., Farmahini, A. H., Friedrich, D. & Sarkisov, L., 4 Mar 2018, In: MOLECULAR SIMULATION. 44, 4, p. 309-321

Research output: Contribution to journal › Article › peer-review

Open Access

From Crystal to Adsorption Column: Challenges in Multiscale Computational Screening of Materials for Adsorption Separation Processes

Farmahini, A. H., Krishnamurthy, S., Friedrich, D., Brandani, S. & Sarkisov, L., 5 Oct 2018, In: Industrial & Engineering Chemistry Research. 57, 45, p. 15491-15511

Research output: Contribution to journal › Article › peer-review

Improving the Mechanical Stability of Metal-Organic Frameworks Using Chemical Caryatids

Moosavi, S. M., Boyd, P. G., Sarkisov, L. & Smit, B., 25 Jul 2018, In: ACS Central Science. 4, 7, p. 832-839

Research output: Contribution to journal › Article › peer-review

Open Access

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Nanomaterial interactions with biomembranes: Bridging the gap between soft matter models and biological context

Werner, M., Auth, T., Beales, P. A., Fleury, J. B., Hook, F., Kress, H., Van Lehn, R. C., Mueller, M., Petrov, E. P., Sarkisov, L., Sommer, J.-U. & Baulin, V. A., 2018, In: Biointerphases. 13, 2

Research output: Contribution to journal › Article › peer-review

Open Access

2017

Ethanolamine Purification by Nanofiltration through PIM-1 and Carbon Membranes: A Molecular Simulation Study

Gupta, K. M., Shi, Q., Sarkisov, L. & Jiang, J., 21 Sept 2017, In: Journal of Physical Chemistry C. 121, 37, p. 20539-20545

Research output: Contribution to journal › Article › peer-review

Open Access

Molecular simulation and experiments of water adsorption in a high surface area activated carbon: Hysteresis, scanning curves and spatial organization of water clusters

Sarkisov, L., Centineo, A. & Brandani, S., Jul 2017, In: Carbon. 118, p. 127-138

Research output: Contribution to journal › Article › peer-review

Open Access

Self-assembly of anionic, ligand-coated nanoparticles in lipid membranes

Angelikopoulos, P., Sarkisov, L., Cournia, Z. & Gkeka, P., 21 Jan 2017, In: Nanoscale. 9, 3, p. 1040-1048

Research output: Contribution to journal › Article › peer-review

Open Access

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2016

Molecular simulation of low temperature argon adsorption in several models of IRMOF-1 with defects and structural disorder

Sarkisov, L., 2016, In: Dalton Transactions. 45, 10, p. 4203-4212

Research output: Contribution to journal › Article › peer-review

Open Access

Molecular simulation of perfluorohexane adsorption in BAM-P109 activated carbon

Sarkisov, L., Feb 2016, In: Adsorption Science & Technology. 34, 1, p. 42-63

Research output: Contribution to journal › Article › peer-review

Net, excess and absolute adsorption and adsorption of helium

Brandani, S., Mangano, E. & Sarkisov, L., Feb 2016, In: Adsorption. 22, 2, p. 261-276

Research output: Contribution to journal › Article › peer-review

2015

Computational structure characterization tools for the era of material informatics

Sarkisov, L. & Kim, J., 6 Jan 2015, In: Chemical Engineering Science. 121, p. 322-330 9 p.

Research output: Contribution to journal › Article › peer-review

Corrigendum to "Towards predictive molecular simulations of normal and branched alkane adsorption in carbonaceous engine deposits" (vol 49, pg 445, 2011)

da Costa, J. M. C. P., Cracknell, R. F., Seaton, N. A. & Sarkisov, L., Jan 2015, In: Carbon. 81, p. 854-856 3 p.

Research output: Contribution to journal › Article › peer-review

Molecular simulation of multi-component adsorption processes related to carbon capture in a high surface area, disordered activated carbon

Di Biase, E. & Sarkisov, L., Nov 2015, In: Carbon. 94, p. 27-40 14 p.

Research output: Contribution to journal › Article › peer-review

2014

Computer Simulation Studies of Adsorption of Binary and Ternary Mixtures of Gasoline Components in Engine Deposits

Harrison, A., Cracknell, R., Krueger-Venus, J. & Sarkisov, L., 13 Oct 2014, In: SAE International Journal of Fuels and Lubricants. 7, 3, p. 756-761 6 p.

Research output: Contribution to journal › Article › peer-review

Effective interactions in molecular dynamics simulations of lysozyme solutions

Pellicane, G. & Sarkisov, L., 1 Sept 2014, In: European Physical Journal B. 87, 9, p. 1-10 10 p., 191.

Research output: Contribution to journal › Article › peer-review

Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion

Gkeka, P., Angelikopoulos, P., Sarkisov, L. & Cournia, Z., 4 Dec 2014, In: PLoS computational biology. 10, 12, p. 1-10 10 p., e1003917.

Research output: Contribution to journal › Article › peer-review

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On the Flexibility of Metal-Organic Frameworks

Sarkisov, L., Martin, R. L., Haranczyk, M. & Smit, B., 12 Feb 2014, In: Journal of the American Chemical Society. 136, 6, p. 2228-2231 4 p.

Research output: Contribution to journal › Article › peer-review

2013

Branched versus linear alkane adsorption in carbonaceous slit pores

Harrison, A., Cracknell, R. F., Krueger-Venus, J. & Sarkisov, L., 20 Oct 2013, In: Adsorption. 20, 2-3, p. 427-437 11 p.

Research output: Contribution to journal › Article › peer-review

Lev Sarkisov

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