165 related articles for article (PubMed ID: 26588966)
1. Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials.
Kim J; Smit B
J Chem Theory Comput; 2012 Jul; 8(7):2336-43. PubMed ID: 26588966
[TBL] [Abstract][Full Text] [Related]
2. High-Throughput Characterization of Porous Materials Using Graphics Processing Units.
Kim J; Martin RL; Rübel O; Haranczyk M; Smit B
J Chem Theory Comput; 2012 May; 8(5):1684-93. PubMed ID: 26593662
[TBL] [Abstract][Full Text] [Related]
3. Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not?
Kim J; Rodgers JM; Athènes M; Smit B
J Chem Theory Comput; 2011 Oct; 7(10):3208-22. PubMed ID: 26598157
[TBL] [Abstract][Full Text] [Related]
4. A data-guided approach for the evaluation of zeolites for hydrogen storage with the aid of molecular simulations.
Manda T; Barasa GO; Louis H; Irfan A; Agumba JO; Lugasi SO; Pembere AMS
J Mol Model; 2024 Jan; 30(2):43. PubMed ID: 38236500
[TBL] [Abstract][Full Text] [Related]
5. Molecular simulations of water and paracresol in MFI zeolite--a Monte Carlo study.
Narasimhan L; Boulet P; Kuchta B; Schaef O; Denoyel R; Brunet P
Langmuir; 2009 Oct; 25(19):11598-607. PubMed ID: 19711959
[TBL] [Abstract][Full Text] [Related]
6. Large-scale screening of zeolite structures for CO2 membrane separations.
Kim J; Abouelnasr M; Lin LC; Smit B
J Am Chem Soc; 2013 May; 135(20):7545-52. PubMed ID: 23654217
[TBL] [Abstract][Full Text] [Related]
7. Multiple "time step" Monte Carlo simulations: application to charged systems with Ewald summation.
Bernacki K; Hetenyi B; Berne BJ
J Chem Phys; 2004 Jul; 121(1):44-50. PubMed ID: 15260521
[TBL] [Abstract][Full Text] [Related]
8. Large-scale computational screening of zeolites for ethane/ethene separation.
Kim J; Lin LC; Martin RL; Swisher JA; Haranczyk M; Smit B
Langmuir; 2012 Aug; 28(32):11914-9. PubMed ID: 22784373
[TBL] [Abstract][Full Text] [Related]
9. Ewald Summation for Molecular Simulations.
Wells BA; Chaffee AL
J Chem Theory Comput; 2015 Aug; 11(8):3684-95. PubMed ID: 26574452
[TBL] [Abstract][Full Text] [Related]
10. Monte Carlo simulations of the adsorption of CO2 on the MgO(100) surface.
Daub CD; Patey GN; Jack DB; Sallabi AK
J Chem Phys; 2006 Mar; 124(11):114706. PubMed ID: 16555909
[TBL] [Abstract][Full Text] [Related]
11. Thermodynamic characterization of fluids confined in heterogeneous pores by monte carlo simulations in the grand canonical and the isobaric-isothermal ensembles.
Puibasset J
J Phys Chem B; 2005 Apr; 109(16):8185-94. PubMed ID: 16851957
[TBL] [Abstract][Full Text] [Related]
12. Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo.
Ge Y; Melling OJ; Dong W; Essex JW; Mobley DL
J Comput Aided Mol Des; 2022 Oct; 36(10):767-779. PubMed ID: 36198874
[TBL] [Abstract][Full Text] [Related]
13. Probing gas adsorption in MOFs using an efficient ab initio widom insertion Monte Carlo method.
Lee Y; Poloni R; Kim J
J Comput Chem; 2016 Dec; 37(32):2808-2815. PubMed ID: 27718253
[TBL] [Abstract][Full Text] [Related]
14. Efficient simulation of binary adsorption isotherms using transition matrix Monte Carlo.
Chen H; Sholl DS
Langmuir; 2006 Jan; 22(2):709-16. PubMed ID: 16401121
[TBL] [Abstract][Full Text] [Related]
15. Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system.
Hansen N; Jakobtorweihen S; Keil FJ
J Chem Phys; 2005 Apr; 122(16):164705. PubMed ID: 15945697
[TBL] [Abstract][Full Text] [Related]
16. Hybrid method coupling molecular dynamics and Monte Carlo simulations to study the properties of gases in microchannels and nanochannels.
Nedea SV; Frijns AJ; van Steenhoven AA; Markvoort AJ; Hilbers PA
Phys Rev E Stat Nonlin Soft Matter Phys; 2005 Jul; 72(1 Pt 2):016705. PubMed ID: 16090132
[TBL] [Abstract][Full Text] [Related]
17. Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal-Organic Frameworks.
Siderius DW; Hatch HW; Shen VK
J Phys Chem B; 2024 May; 128(19):4830-4845. PubMed ID: 38676704
[TBL] [Abstract][Full Text] [Related]
18. Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. II. Adsorption of atomic and molecular fluids in a porous material.
Desgranges C; Delhommelle J
J Chem Phys; 2012 May; 136(18):184108. PubMed ID: 22583278
[TBL] [Abstract][Full Text] [Related]
19. Scalable and massively parallel Monte Carlo photon transport simulations for heterogeneous computing platforms.
Yu L; Nina-Paravecino F; Kaeli D; Fang Q
J Biomed Opt; 2018 Jan; 23(1):1-4. PubMed ID: 29374404
[TBL] [Abstract][Full Text] [Related]
20. Monte Carlo modeling of carbon dioxide adsorption in porous aromatic frameworks.
Fraccarollo A; Canti L; Marchese L; Cossi M
Langmuir; 2014 Apr; 30(14):4147-56. PubMed ID: 24646367
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
