Martin Head-Gordon

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Martin Head-Gordon
Head-Gordon in 2011
Martin Philip Head

(1962-03-17) 17 March 1962 (age 62)
Alma materMonash University (BSc, MSc)
Carnegie Mellon University (PhD)
Known forQ-Chem
SpouseTeresa Head-Gordon
AwardsMember of the National Academy of Sciences (2015)[1]
Scientific career
FieldsTheoretical chemistry
Quantum chemistry
Computational chemistry[2]
InstitutionsUniversity of California, Berkeley
ThesisDirect ab initio molecular orbital methods for the study of large molecules (1989)
Doctoral advisorJohn Pople
Doctoral studentsTroy Van Voorhis
Other notable studentsPost-docs:

Martin Philip Head-Gordon ( Martin Philip Head) FRS is a professor of chemistry at the University of California, Berkeley, and Lawrence Berkeley National Laboratory working in the area of computational quantum chemistry.[2] He is a member of the International Academy of Quantum Molecular Science.[3][1][2]


A native of Australia, Head-Gordon received his Bachelor of Science and Master of Science degrees from Monash University,[when?] followed by a PhD from Carnegie Mellon University[3] working under the supervision of John Pople developing a number of useful techniques including the Head-Gordon-Pople scheme for the evaluation of integrals,[4] and the orbital rotation picture of orbital optimization.

Career and research[edit]

At Berkeley,[5] Martin supervises a group interested in pairing methods, local correlation methods, dual-basis methods, scaled MP2 methods, new efficient algorithms, and very recently corrections to the Kohn-Sham density functional framework. Broadly speaking, wavefunction based methods are the focus of his research. Head-Gordon is one of the founders of Q-Chem Inc.[citation needed]

Awards and honors[edit]

In 2015, Head-Gordon was elected a Member of the National Academy of Sciences.[6][7]


  1. ^ a b Gabrielsen, Paul (2018). "QnAs with Martin Head-Gordon". Proceedings of the National Academy of Sciences. 115 (8): 1670–1671. Bibcode:2018PNAS..115.1670G. doi:10.1073/pnas.1721205115. ISSN 0027-8424. PMC 5828634. PMID 29432150.
  2. ^ a b c Martin Head-Gordon publications indexed by Google Scholar Edit this at Wikidata
  3. ^ a b "International Academy of Quantum Molecular Science".
  4. ^ Head‐Gordon, Martin; Pople, John A. (1988). "A method for two‐electron Gaussian integral and integral derivative evaluation using recurrence relations". The Journal of Chemical Physics. 89 (9): 5777–5786. Bibcode:1988JChPh..89.5777H. doi:10.1063/1.455553. ISSN 0021-9606.
  5. ^ "The Head-Gordon Group". The Head-Gordon Group.
  6. ^ Anon (2013). "Martin Head-Gordon".
  7. ^ "April 28, 2015: NAS Members and Foreign Associates Elected". Archived from the original on 20 November 2015. Retrieved 20 November 2015.