Luis Miguel Azofra, Ph.D.

Alumni and Former Staff

​​Postdoctoral Fellow

Research Interest

​In-silico design of novel catalysis for N2-into-NH3 conversion, theoretical description of reaction mechanisms, simulation of electrochemical processes, modeling of catalytic processes involving energy concerns and/or environmental remediation.

Selected Publications

  • Experimental and computational study of an unexpected iron catalyzed carboetherfication by cooperative metal and li...
    O. El-Sepelgy, A. Brzozowska, L. Azofra, Y. Jang, L. Cavallo, M. Rueping
    Angew. Chem. Int. Ed, volume 56, issue 47, pp. 14863-14867, (2017)
  • Feasibility of N2 Binding and Reduction to Ammonia on Fe-Deposited MoS2 2D Sheets: A DFT Study
    L. Azofra, C. Sun, L. Cavallo, D. MacFarlane
    Chemistry - A European Journal, 23 (34), pp. 8275-827, (2017)
  • Electro-synthesis of ammonia from nitrogen at ambient temperature and pressure in ionic liquids
    F. Zhou, L. M. Azofra, M. Ali, M. Kar, A. N. Simonov, C. McDonnell-Worth, C. Sun, X. Zhang...
    Energy & Environmental Science, accepted , (2017)
  • • Promising prospects for 2D d2–d4 M3C2 transition metal carbides (MXenes) in N2 capture and conversion into ammoni...
    L. M. Azofra, N. Li, D. R. MacFarlane, C. Sun
    Energy & Environmental Science, 9, 2545-2549, (2016)
  • Unraveling the role of ligands in the hydrogen evolution mechanism catalyzed by [NiFe] hydrogenases
    S. Qiu, L. M. Azofra, D. R. MacFarlane, C. Sun
    ACS Catalysis, 6, 5541-5548, (2016)
  • • Ionic liquid electrolytes for reversible magnesium electrochemistry
    M. Kar, Z. Ma, L. M. Azofra, K. Chen, M. Forsyth, D. R. MacFarlane
    Chemical Communications, 52, 4033-4036, (2016) 

Education

  • Ph.D., Theoretical Chemistry and Computational Modeling, UAM-CSIC, Madrid, Spain, 2014
  • M.Sc., Theoretical Chemistry and Computational Modeling, UAM-CSIC, Madrid, Spain, 2012
  • B.Sc., Chemistry, ULL, The Canary Islands, Spain, 2009

Professional Profile

  • 2015-2016: Postdoctoral lecturer, Monash University, Melbourne, Australia
  • 2016-presente: Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia

Scientific and Professional Membership

  • ​The Spanish Royal Society of Chemistry (RSEQ)

Awards

  • ​150 kSU Computer Time Award – Special Allocations for Early Career Researchers (ECR). National Computational Merit Allocation Scheme (NCMAS) for 2016, National Computational Infrastructure (NCI), Australia

KAUST Affiliations

  • KAUST Catalysis Center (KCC)
  • Division of Physical Science and Engineering (PSE)

Research Interests Keywords

​In-silico catalyst design reaction mechanisms Heterogeneous catalysis Homogeneous Catalysis Theoretical frontier sciences

Former Faculty

  • ​Jorg Eppinger, Ph.D. (Assistant Professor)
  • Lain-Jong Li, Ph.D. (Professor)
  • Valentin Rodionov, Ph.D. (Assistant Professor)
  • Kazuhiro Takanabe, Ph.D. (Professor)
  • Jr-Hau He, Ph.D. (Associate Professor)

 

Former Research Staff

  • Abou-Hamad edy, Ph.D. Research Engineer
  • Haibo Zhu, Ph.D. (Research Scientist)
  • Isidoro Morales Osorio , Ph.D. (Research Technician)
  • Lu Zhou
  • Rong-rong Jiang (Lab Technician)
  • Douaa Hamed (Lab Technician)
  • Jeremie Pelletier ( Lab Manager)
  • Lan Zhao (Research Technician)
  • Linjie Su (Lab Technician)
  • Jing Fan (Lab Technician)

 

Research Scientist

   
  • Jun Pan, Ph.D.
  • Pavlo Nikolaienko, Ph.D.
  • Sergey Kozlov, Ph.D.
  • Xiulin Yang, Ph.D.
  • Yuanlong Shao, Ph.D.
  • Huaifeng Li, Ph.D.

 

Postdoctoral Fellows

  • Abdesslem Jedidi, Ph.D.                                                     
  • Abhishek Dutta Chowdhury,Ph.D.
  • Akshaya K Samal, Ph.D.
  • Chaochao Yue, Ph.D.
  • Chaojie Cui, Ph.D.
  • Dandan Zhang, Ph.D.
  • Eleonora Fava, Ph.D.
  • Eva Pump, Ph.D.
  • Janet Chakkamadathil Mohandas, Ph.D.
  • Gabriel Buchel, Ph.D.
  • Ida Autiero, Ph.D.
  • Jung-Hyun Park, Ph.D.
  • Tianyou Chen, Ph.D.
  • Zhaolai Chen, Ph.D.
  • Anatoly Peshkov, Ph.D.
  • Chinmoy K. Hazra, Ph.D.
  • Luis Miguel Azofra Mesa
  • ​Manbo Li, Ph.D.
  • Michael Kelly, Ph.D.
  • Mannathan Subramaniyan, Ph.D.
  • Manas Bhunia, Ph.D.

  • Niladri Maity, Ph.D.
  • Olga Gladkovskaya, Ph.D.
  • Raju Dey, Ph.D.
  • Sai Vikrama Chaitanya vummaleti, Ph.D.
  • Jinsong Hu, Ph.D.
  •  Somphonh Peter Phivilay, Ph.D.
  • Sandeep Kumar Mishra, Ph.D.
  • Hassan Ait Ahsaine, Ph.D. 
  • Changguang Yao, Ph.D.
  • Kwangjae Lee, Ph.D.
  • Stefania Evoli, Ph.D.
  • Shixiong Min, Ph.D.
  • Tunc Deniz, Ph.D.
  • Srikanth Pedireddy, Ph.D.
  • Wei Zhao, Ph.D.
  • Won Suk Juang, Ph.D.
  • Xuechao Liu, Ph.D.
  • Xiufang wang, Ph.D.
  • Yuan Wang, Ph.D.
  • Yunfei Cai, Ph.D.
  • Yupeng Pan, Ph.D.
  • Yuri Lebedev, Ph.D.
  • Kushal Deepak Bhatte​,Ph.D.
  • Liangjin Xu, Ph.D.
  • Gangaiah Mettela,Ph.D.
  • Yogesh Raghunath Patil, Ph.D.
  • Jie Chen, Ph. D.


Ph.D. Students

  • Adrian Hol, Ph.D
  • Arwa Makki, Ph.D.
  • Batian Chen, Ph.D.
  • Bilel Hamzaoui, Ph.D.
  • Bedour E. Al-Sabban, Ph.D.
  • Chao Guan, Ph.D.
  • Dalal Noureldine, Ph.D.
  • Duanxing Li, Ph.D.
  • Gabriel Jeantelot, Ph.D.
  • Hind Al-Johani, Ph.D.
  • Haleema Alamri, Ph.D.
  • Hsin-Hua Huang, Ph.D. 
  • Israa Salem Al-Rowaihi, Ph.D.
  • Ibrahim Dursun
  • Reem Alshumrani, Ph.D.
  • Eleanor Ang Pei Ling, Ph.D.
  • Adrian Hohl, Ph.D.
  • Baraa Werghi, Ph.D.
  • Amal A. Baqais, Ph.D.
  • Ding-Jier Yuan, Ph.D.
  • Miguel Dinis Veloso Guerreiro, Ph.D.
  • Nawal alhajri, Ph.D.
  • Nazeeha Alkayal, Ph.D.
  • Noor Almana, Ph.D.
  • Nouf Al Jabri, Ph.D.
  • Reem Al-Shareef, Ph.D.
  • Sarah Almahdali, Ph.D.
  • Sheikha Lardhi, Ph.D.
  • Stefan Grotzinger, Ph.D.
  • Tatsuya Shinagawa, Ph.D.
  • Maha Al Haddad, Ph.D.
  • Muhammad Qureshi, Ph.D.
  • Keisuke Obata, Ph.D.
  • Oleksii Pustovarenko, Ph. D.


Master Students


  • Abdulaziz Khan
  • Alexandra Vancea
  • Ali Hamieh
  • Mram Alyami
  • Kanav Kalra



Former Administration

  • Ann Bauwens (Executive Secretary)
  • Jiao Qiu (Business Administrator)
  • Xianzheng Meng(Business Administrator)
  • Wenwen Zhu(Administrative Assistant)
  • Xijun Deng(Administrative Assistant)