DJAMALADDIN ( JAMAL ) G. MUSAEV

Principal Scientist and Director of the Emerson Center, Emory University

Ph: 404-727-2382; e-mail: dmusaev@emory.edu

POSITIONS HELD:

Mallorca, Spain, (Oct-Dec. 2007)

RESEARCH INTERESTS:

1. Theoretical/Computational Studies of:(on Catalysis, Enzymatic Processes, Drug Design):

2. The development of hybrid methods applicable to nanoscaled systems.

RESEARCH GRANTS (CURRENT):

  1. Department of Energy (DOE): "Principles of Selective O2-Based Oxidation by
  2. Optimal (Multinuclear) Catalytic Sites". 09/15/06 — 09/15/09, Total award is ~$936,000: Principal investigator (Co-PI’s are Drs. C. Hill and K. Morokuma)

  3. Department of Defense (DOD, Office of Naval Research): "Fundamental Understanding of Propellant/Nozzle Interaction to Mitigate Erosion for Very High Pressure Missile Propellant Application", Subcontractor (with MC Lin and S. Irle); Total Award is for Emory University $800,000. Main Contractor is Penn State University (Prof. K.K. Kuo, The Mechanical Engineering Department), 07/01/2004-07/01/2009
  4. Department of Energy (DOE): "Solar energy-driven robust multi-electron-transfer catalysts for water splitting" 09/01/07 — 08/31/10,
  5. Total award is ~$900,000: Co-PI

    (together with Drs. C. Hill (PI) and T. Lian (Co-PI))

  6. NATO Scientific Council: To organize NATO workshop in Baku, Azerbaijan, May 26-28, 2008, on "Complexity and Simplicity in Chemistry and Beyond: Interplay Theory and Experiment", ~$32000 (together with Drs. C. Hill (USA), A. Muller (Germany) and A. Efendiev (Azerbaijan)).

PUBLICATIONS:

EDUCATION:

- Ph.D Inst of General and Inorganic Chemistry, USSR Acad. of Sci., Moscow (one of the top Scientific Institutes of the USSR), 1985

HONORS:

VISA STATUS: USA Citizen (Naturalized in March 2002)

 

Externally Funded Projects:

Current

  1. Department of Energy (DOE): "Principles of Selective O2-Based Oxidation by
  2. Optimal(Multinuclear) Catalytic Sites". 09/15/06 — 09/15/09, Total award is ~$936,000: Principal investigator (Co-PI’s are Drs. C. Hill and K. Morokuma)

  3. Department of Defense (DOD, Office of Naval Research): "Fundamental Understanding of Propellant/Nozzle Interaction to Mitigate Erosion for Very High Pressure Missile Propellant Application", Subcontractor (with MC Lin and S. Irle); Total Award is for Emory University $800,000. Main Contractor is Penn State University (Prof. K.K. Kuo, The Mechanical Engineering Department), 07/01/2004-07/01/2009
  4. Department of Energy (DOE): "Solar energy-driven robust multi-electron-transfer catalysts for water splitting" 09/01/07 — 08/31/10,
  5. Total award is ~$900,000: Co-PI

    (with Drs. C. Hill (PI) and T. Lian (Co-PI))

  6. NATO Scientific Council: To organize NATO workshop in Baku, Azerbaijan, May 26-28, 2008, on "Complexity and Simplicity in Chemistry and Beyond: Interplay Theory and Experiment", ~$32000 (with Drs. C. Hill (USA), A. Muller (Germany) and A. Efendiev (Azerbaijan)).
  7. Pending

  8. BAA-DoD: Defense Threat Reduction Agency (DTRA) "Multifunctional Nanomolecules underlying detecting and catalytically decontaminating materials" Requested award: ~$1,050,000. Expected Period: 11/01/07-10/31/10, Co-PI
  9. (PI: Dr. Craig Hill).

  10. Azerbaijan-US Bilateral Grants Program (US Civilian Research and Development Foundation, CDRF): "Designing of new non-metallocene based catalysts for synthesis of high-density polyethylene: Joint Experimental and Theoretical Studies." Requested award: $50,000 .
  11. Expected Period: 01/01/08-12/31/10, Co-PI

    (Drs. Craig Hill (USA) and Akif Azizov (Azerbaijan)).

  12. Department of Energy (DOE)- Mid-Scaled Instrumental Grant: "Acqusition of Computer Clusters to Support DoE Basic Energy Sciences Research at the Emory University Emerson Center for Scientific Computation", Requested award: $600,000. Expected Period: 01/01/08-12/31/10.
  13. Previous

  14. Department of Energy (DOE): "Principles of Selective O2-Based Oxidation by
  15. Optimal (Binuclear) Catalytic Sites". 09/15/03 — 09/15/06,

    Total award was ~$903,943.00: PI

    (Co-PI’s Drs. C. Hill and K. Morokuma)

  16. National Science Foundation: "Theoretical Studies of Structures and Reactions of Transition Metal Atoms, Ions, Complexes and Cluster Complexes" Total ward was $832,000 07/01/98-06/30/06 Co-PI: (PI: K. Morokuma)
  17. Phillips Petroleum Company and NIST ATP project, entitled "Computational Methods for Catalyst Design. Development of Group 4 Metallocene Polymerization Catalysts Based on Theoretical Computation and Experiment" Participant are: Phillips Petr., Oklahama State Univ., University of Minnesota and Emory University. Amount of funding for Emory was ~$500,000 for 9/30/95-9/29/98. Co-leader from the Emory.
  18. IBM-SUR grant to Emerson Center: "Acquisition of IBM computer system", year of 2000, total amount was $625,000; Co-PI (PI was Keiji Morokuma)
  19. National Science Foundation (Major Research Instrumentation Grant), "Acquisition of Computer Systems for Computational Chemistry and Chemical Physics", total award $300,000 10/01/00-9/30/03; Co-investigator
  20. (PI: K. Morokuma)

  21. Air Force Office of Scientific Research: Defense University Research Instrument Program: "Computer Cluster for Computational Studies of Chemical Reaction Systems" $213,569 04/01/04 - 03/31/05; Co-PI
  22. (PI K. Morokuma)

  23. Various Deals with the vendors (IBM, SUN, SGI, Microwaves, Schrodinger Inc., etc.) Total: ~1 mil.

OTHER ACTIVITIES:

Congress of Quantum Chemistry (9-14 June, 1997, Emory University, Atlanta, USA).

Quantum Chemistry and Chemical Reactions" (Emory University, 21-22 May 1999 ).

Emory University

Biochemistry: Methods and Applications" within 55th Southeast Regional Meeting of the American Chemical Society (SERMACS-03), November 16-19, 2003, Atlanta, Georgia.

- Organizer of the International (NATO) Symposium "Complexity and Simplicity in Chemistry and Beyond: Interplay Theory and Experiment" (with Drs. C. Hill (USA), A. Muller (Germany) and A. Efendiev (Azerbaijan)), May 25-29, 2008, Baku Azerbaijan.

- Scientific Reviewer of the dozens peer-reviewed scientific journals (such as JACS; JPC;

Org. Let.; Organometallics; Inorg. Chem.; J. Comp. Chem., J. Mol. Str (Theochem), Biochemistry, Angwante Chem., Phys.Chem. Chem. Phys., and more).

 

 

 

 

 

 

 

Current and Former Students/Postdocts:

Graduate Students:

Former:

  1. Dmitry Khoroshun (joint with Prof. K. Morokuma),
  2. Currently postdoct with Walter Thiel, Germany

  3. Ilja Khavrutski, (joint with Prof. K. Morokuma),
  4. Currently postdoct with Dr. Andy McCammon (UCSD, San Diego)

  5. Taraneh Nowroozi-Isfahani
  6. Yukiko Sakimoto, (joint with Prof. K. Hirao, The University of Tokyo)
  7. Current:

  8. Hideaki Miyachi , (joint with Prof. K. Hirao, The University of Tokyo)

Undergraduate Students:

Former:

  1. Mr. Robby Rahim (joint with Prof. K. Morokuma),
  2. Currently at Emory Medical School

    Postdocts:

    Former

    1. Robert Froese, (joint with Prof. K. Morokuma)

    Currently, Scientific staff at Dow Chemical Co.

  3. Max Holthausen (joint with Prof. K. Morokuma)

Currently, at Philipps-Universität Marburg, Germany

3. Sergei Vyboishchikov (joint with Prof. K. Morokuma)

Currently, Scientific staff at Girona University, Spain

4. Robert Szilagyi (joint with Prof. K. Morokuma)

Currently, Faculty member at Montana State University

5. Maricel Torrent (joint with Prof. K. Morokuma)

Currently, Scientific staff at Merck Co.

6. Ying-hong Sheng (joint with Prof. K. Morokuma)

Currently, postdoct at Jackson State University

7. Marcin Hoffmann (joint with Prof. K. Morokuma)

Currently at Poland

8. Petia Bobatova-Parvanova (joint with Prof. K. Morokuma)

Currently at PNNL

9. Rajeev Prabhakar (joint with Prof. K. Morokuma)

Currently, Faculty member at University of Miami

10. Yan Wang (joint with Prof. K. Morokuma)

Currently, postdoct at Germany

11. David Quinonero (joint with Prof. K. Morokuma)

Currently, Faculty member at Universitat de les Illes Balears, Spain

12. H. T. Chen (joint with Prof. M.C. Lin)

Currently, scientific staff at Taiwan National Computing Center

Current :

1. Alexsey Kuznetsov (joint with Prof. K. Morokuma)

2. S. C. Xu (joint with Prof. M.C. Lin)