발행물

전체 논문

276

251

Computational structure characterization tools for the era of material informatics
Sarkisov, L[Sarkisov, Lev], Kim, JH[Kim, Jihan]
CHEMICAL ENGINEERING SCIENCE, 201501

252

CO2 Adsorption in Fe-2(dobdc): A Classical Force Field Parameterized from Quantum Mechanical Calculations
Dzubak, AL[Dzubak, Allison L.], Bloch, ED[Bloch, Eric D.], Gagliardi, L[Gagliardi, Laura], Borycz, J[Borycz, Joshua], Lee, K[Lee, Kyuho], Lin, LC[Lin, Li-Chiang], Smit, B[Smit, Berend], Maurice, R[Maurice, Remi], Kim, JH[Kim, Jihan], Semrouni, D[Semrouni, David]
JOURNAL OF PHYSICAL CHEMISTRY C, 201406

253

Efficient Determination of Accurate Force Fields for Porous Materials Using ab Initio Total Energy Calculations
Neaton, JB[Neaton, Jeffrey B.], Lin, LC[Lin, Li-Chiang], Lee, K[Lee, Kyuho], Kim, JH[Kim, Jihan], Smit, B[Smit, Berend]
JOURNAL OF PHYSICAL CHEMISTRY C, 201402

254

Computational Generation of User-Desired Multivariate Metal-Organic Framework Structures
Kim, JH[Kim, Jihan]
CHEMPHYSCHEM, 201401

255

Predicting low-k zeolite materials
Poloni, R[Poloni, Roberta], Kim, JH[Kim, Jihan]
JOURNAL OF MATERIALS CHEMISTRY C, 2014

256

Optimizing nanoporous materials for gas storage
Lin, LC[Lin, Li-Chiang], Simon, CM[Simon, Cory M.], Haranczyk, M[Haranczyk, Maciej, Martin, RL[Martin, Richard L.], Kim, JH[Kim, Jihan], Smit, B[Smit, Berend]
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2014

257

Evaluating mixture adsorption models using molecular simulation
Lin, LC[Lin, Li-Chiang], Kim, J[Kim, Jihan], Smit, B[Smit, Berend], Swisher, JA[Swisher, Joseph A.
AICHE JOURNAL, 201308

258

Mapping of Functional Groups in Metal-Organic Frameworks
Kim, J[Kim, Jihan], Kong, XQ[Kong, Xueqian], Smit, B[Smit, Berend], Yan, FY[Yan, Fangyong], Reimer, JA[Reimer, Jeffrey A.], Deng, HX[Deng, Hexiang], Yaghi, OM[Yaghi, Omar M.], Swisher, JA[Swisher, Joseph A.
SCIENCE, 201308

259

Large-Scale Screening of Zeolite Structures for CO2 Membrane Separations
Kim, JH[Kim, Jihan], Abouelnasr, M[Abouelnasr, Mahm, Lin, LC[Lin, Li-Chiang], Smit, B[Smit, Berend]
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 201305

260

New materials for methane capture from dilute and medium-concentration sources
Kim, J[Kim, Jihan], Maiti, A[Maiti, Amitesh], Lin, LC[Lin, Li-Chiang], Stolaroff, JK[Stolaroff, Joshu, Smit, B[Smit, Berend], Aines, RD[Aines, Roger D.]
NATURE COMMUNICATIONS, 201304