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211 to 220 of 8,109 Results
isobutane.def
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 861 B - MD5: 208c8fc599383dab22a244fb5fe5c442
master_torque.job.template
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Unknown - 275 B - MD5: b6ad227aab9a6d1ceac60efb944896c1
methane.def
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 609 B - MD5: 96d065e9c02ca233d4ce26373f6669c3
methane.def
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 609 B - MD5: 96d065e9c02ca233d4ce26373f6669c3
npt.input.template
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Unknown - 745 B - MD5: b16f76297a01008705d48fce5c83990f
output_FAU0_methane_323_1e+07.s0.txt
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 13.5 MB - MD5: 35b801f1660de9bb17c37e87c59e2838
output_FAU0_methane-ethane_323_1e+07.s0-checkpoint.txt
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 16.4 MB - MD5: 5cb47041ec5a180b0c3726de5f8d212a
output_FAU0_methane-ethane_323_1e+07.s0.txt
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 16.4 MB - MD5: 5cb47041ec5a180b0c3726de5f8d212a
output_FAU86_methane_323_1e+07.s0-checkpoint.txt
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 13.5 MB - MD5: c303a7e65826b4a954036c3eb00751b0
output_FAU86_methane_323_1e+07.s0.txt
Mar 7, 2025 - Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"
Plain Text - 13.5 MB - MD5: c303a7e65826b4a954036c3eb00751b0
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