Transition metal chemical space exploration: Artificial intelligence for first-principles design

被引：0
|
作者：
Kulik, Heather [1 ]
机构：
[1] MIT, Chem Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2018年 / 256卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
8
引用
收藏
页数：1
相关论文
共 50 条
  • [1] Navigating Transition-Metal Chemical Space: Artificial Intelligence for First-Principles Design
    Janet, Jon Paul
    Duan, Chenru
    Nandy, Aditya
    Liu, Fang
    Kulik, Heather J.
    ACCOUNTS OF CHEMICAL RESEARCH, 2021, 54 (03) : 532 - 545
  • [2] Dopants in Lanthanum Manganite: Insights from First-Principles Chemical Space Exploration
    Krishnan, Sridevi
    Sharma, Vinit
    Singh, Prabhakar
    Ramprasad, Rampi
    JOURNAL OF PHYSICAL CHEMISTRY C, 2016, 120 (39): : 22126 - 22133
  • [3] First-principles study of transition metal carbides
    Connetable, Damien
    MATERIALS RESEARCH EXPRESS, 2016, 3 (12):
  • [4] Design of Materials for Nuclear Energy Applications: First-Principles Calculations and Artificial Intelligence Methods
    I. A. Abrikosov
    E. E. Son
    B. O. Mukhamedov
    A. V. Khvan
    High Temperature, 2020, 58 : 907 - 937
  • [5] Design of Materials for Nuclear Energy Applications: First-Principles Calculations and Artificial Intelligence Methods
    Abrikosov, I. A.
    Son, E. E.
    Mukhamedov, B. O.
    Khvan, A., V
    HIGH TEMPERATURE, 2020, 58 (06) : 907 - 937
  • [6] Exploration of polymer chemical space from first principles
    Wang, Chenchen
    Pilania, Ghanshyam
    Sharma, Vinit
    Ramprasad, Rampi
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [7] First-principles exploration of ferromagnetic and ferroelectric double-perovskite transition-metal oxides
    Uratani, Y.
    Shishidou, T.
    Ishii, F.
    Oguchi, T.
    PHYSICA B-CONDENSED MATTER, 2006, 383 (01) : 9 - 12
  • [8] 2D Transition-Metal Silicides as Analogs of MXenes: A First-Principles Exploration
    Lan, Xiaoli
    Yu, Linke
    Lv, Xiaodong
    Li, Fengyu
    PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS, 2021, 15 (06):
  • [9] First-principles study of transition metal impurities in Si
    Zhang, Z. Z.
    Partoens, B.
    Chang, Kai
    Peeters, F. M.
    PHYSICAL REVIEW B, 2008, 77 (15)
  • [10] Understanding asymmetric hydrogenation of alkenes catalyzed by the first-row transition metal Fe: a first-principles exploration
    Mahato, Akhilesh
    Mahato, Anupama
    Ghoshal, Sourav
    Pramanik, Anup
    Sarkar, Pranab
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2025, 27 (02) : 1100 - 1111
12345