Research Facilities
Experimental Facilities
Micromeritics ASAP 2020 PLUS
Nitrogen, Ammonia, Argon in Liquid Argon, Argon in Liquid Nitrogen, Carbon Dioxide, Carbon Monoxide, Ethane, Ethylene, Helium, Hydrogen, Isobutane, Krypton Solid, Krypton, Methane, n-Butane, n-Hexane, n-Pentane, Neon, Nitrous Oxide, Oxygen, Propane, Sulfur Hexafluoride, Water, Xenon
Pressure range: 1E-6 Pa ~ 1.0 bar
AccuPyc II 1345
Sample density measurement with helium gas.
Chrozen Gas Chromatograph
FID, TCD detectors
Automatic gas sampling
Nickel catalyst methanizer
Custom Pressure Vacuum Swing Adsorption System
Two Adsorbent Beds
20 bar (gauge), 1/2'' x 500 mm * 1/2'' VCR fitting
0.1 bar (vacuum)
Labview for automatic scheduling and controlling the valve positions.
LI-850 CO2/H2O Gas Analyzer
CO2 range: 0 - 20,000 ppm
CO2 accuracy: 1%
H2O range: 0 - 60 mmol/mol
H2O accuracy: 1.5 %
Vacuum Oven
OV4-30
Computing Facilities
Group has computing time allocations to access national supercomputing servers: KISTI NURION and NEURON (GPU)
SquidGame-Master (Group Cluster)
Head Node
PowerEdge R440, Intel Xeon Bronze 3206R 1.9 GHz (8 cores)
Memory: 64 GB
Storage: 960 GB
Compute Nodes (total 800 heterogeneous cores)
10 x Intel Xeon Silver s (2.1 GHz, 12 cores x 2 = 24 cores, 64 GB)
1 x Intel Xeon Gold 6430 (2.1 GHz, 32 cores x 2 = 64 cores, 384 GB)
2 x AMD EPYC 7662 (2.0 GHz, 64 cores x 2 = 128 cores, 192 GB)
1 x AMD EPYC 7702 (2.0 GHz, 64 cores x 2 = 128 cores, 192 GB)
1 x AMD EPYC 7662 (2.0 GHz, 64 cores x 2 = 128 cores, 192 GB)
GPUs: 2 x NVIDIA A100 40 GB
Storage Node
PowerEdge R430, Intel Xeon E3-1240 v5 3.50 GHz (8 cores)
Memory: 32 GB
Storage: 1.8 TB SSD
DELL MD1400 240 TB (RAID06)
12 x 20 TB HDD SAS ISE 12 Gbps 7.2 K 512e. 3.5 inch hot-plug drive
Power Supply: AC 600 W Gold Redundant
Interconnect
Mellanox MSB7890-ES2F Switch-IB 2 Based EDR InfiniBand 1U Switch 36 Port
Carbon
Ubuntu 22.04.1 LTS
Intel(R) Gold 6448Y CPU @ 2.10 GHz (32 cores x 2)
384 GB (32GB DDR5 38400 REG/ECC x 12)
2.0 TB NVMe M.2 SSD
No GPU
Oxygen
Ubuntu 22.04.3 LTS
Intel(R) Gold 6230R CPU @ 2.10 GHz (26 cores x 2)
384 GB (32GB DDR4 2933 MHz RDIMM ECC x 12)
4.0 TB NVMe M.2 SSD
NVIDIA RTX A6000 48GB
Commercial Computational Software Licenses
VASP 6.0 or higher
Gaussian 16
TeraChem
SCM Amsterdam Modeling Suite
Materials Studio Visualizers and Forcite
Chemcraft Visualizer