발행물

전체 논문

236

71

Machine-enabled inverse design of inorganic solid materials: promises and challenges
Noh, J[Noh, Juhwan], Gu, GH[Gu, Geun Ho], Kim, S[Kim, Sungwon], Jung, Y[Jung, Yousung]
CHEMICAL SCIENCE, 2020

72

Practical Deep-Learning Representation for Fast Heterogeneous Catalyst Screening
Gu, GH[Gu, Geun Ho], Noh, J[Noh, Juhwan], Kim, S[Kim, Sungwon], Back, S[Back, Seoin], Ulissi, Z[Ulissi, Zachary], Jung, Y[Jung, Yousung]
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2020

73

Interaction Mediator Assisted Synthesis of Mesoporous Molybdenum Carbide: Mo-Valence State Adjustment for Optimizing Hydrogen Evolution
Kim, S[Kim, Seongbeen], Choi, C[Choi, Changhyeok], Hwang, J[Hwang, Jongkook], Park, J[Park, Jinkyu], Jeong, J[Jeong, Jooyoung], Jun, H[Jun, Hyunwoo], Lee, S[Lee, Seonggyu], Kim, SK[Kim, Soo-Kil], Jang, JH[Jang, Jong Hyun], Jung, Y[Jung, Yousung], Lee, J[Lee, Jinwoo]
ACS NANO, 2020

74

Uncertainty-Quantified Hybrid Machine Learning/Density Functional Theory High Throughput Screening Method for Crystals
Kim, S[Kim, Sungwon], Jung, Y[Jung, Yousung], Noh, J[Noh, Juhwan], Gu, GH[Gu, Geun Ho]
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020

75

Towards stable Na-rich layered transition metal oxides for high energy density sodium-ion batteries
Do, J[Do, Joongyeop], Kim, I[Kim, Inkyung], Kim, H[Kim, Heejin], Jung, Y[Jung, Yousung]
ENERGY STORAGE MATERIALS, 2020

76

Charge-transfer descriptor for the cycle performance of beta-Li2MO3 cathodes: role of oxygen dimers
Kim, I[Kim, Inkyung], Do, J[Do, Joongyeop], Kim, H[Kim, Heejin], Jung, Y[Jung, Yousung]
JOURNAL OF MATERIALS CHEMISTRY A, 2020

77

Reduced graphene oxides with engineered defects enable efficient electrochemical reduction of dinitrogen to ammonia in wide pH range
Zhang, ML[Zhang, Mingli], Choi, C[Choi, Changhyeok], Huo, RP[Huo, Rupeng], Gu, GH[Gu, Geun Ho], Hong, S[Hong, Song], Yan, C[Yan, Chao], Xu, SY[Xu, Suying], Robertson, AW[Robertson, Alex, Qiu, JS[Qiu, Jieshan], Jung, Y[Jung, Yousung], Sun, ZY[Sun, Zhenyu]
NANO ENERGY, 2020

78

Activation of Ni Particles into Single Ni-N Atoms for Efficient Electrochemical Reduction of CO2
Fan, Q[Fan, Qun], Hou, PF[Hou, Pengfei], Choi, CH[Choi, Changhyeok], Wu, TS[Wu, Tai-Sing], Hong, S[Hong, Song], Li, F[Li, Fang], Soo, YL[Soo, Yun-Liang], Kang, P[Kang, Peng], Jung, YS[Jung, Yousung], Sun, ZY[Sun, Zhenyu]
ADVANCED ENERGY MATERIALS, 2020

79

Inverse Design of Solid-State Materials via a Continuous Representation
Noh, J[Noh, Juhwan], Kim, J[Kim, Jaehoon], Stein, HS[Stein, Helge S.], Sanchez-Lengeling, B[Sanchez-L, Gregoire, JM[Gregoire, John M., Aspuru-Guzik, A[Aspuru-Guzik,, Jung, Y[Jung, Yousung]
MATTER, 2019

80

Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments
Gregoire, JM[Gregoire, John M., Noh, J[Noh, Juhwan], Kim, S[Kim, Sungwon], Gu, GH[Gu, Geun Ho], Shinde, A[Shinde, Aniketa], Zhou, L[Zhou, Lan], Jung, YS[Jung, Yousung]
CHEMICAL COMMUNICATIONS, 2019