Personal information

Theoretical Chemistry, Computational Chemistry, Analytical Derivative Theory, Parallel Computation, Local Electron Correlation, Calculation of Infrared and Raman Spectra, Calculation of NMR Chemical Shifts
United States, Japan, Hungary, Germany, China

Biography

BIOGRAPHICAL SKETCH Peter Pulay
Born September 20, 1941 in Veszprem, Hungary.
Current address: Department of Chemistry and Biochemistry, University of Arkansas, Fayetteville, AR 72701, USA.

Professional Preparation
Eötvös L. University, Budapest, Hungary, Chemistry, Diploma (M. S.), 1963.
University of Stuttgart, Germany, Chemistry, Dr. rer. nat. (Ph. D.), 1970.

Appointments
University of Arkansas, Fayetteville, Distinguished Professor Emeritus 2017-
Senior Visiting Scientist, Okazaki National Research Institute, Okazaki, Japan, 2004.
University of Arkansas, Fayetteville, Mildred B. Cooper Chair, 2000-2017
Humboldt Senior Scientist, University of Stuttgart, Germany, 1996
University of Arkansas, Fayetteville, Roger B. Bost Distinguished Professor, 1983-2017
University of Arkansas, Fayetteville, Professor, 1982-1083
University of Texas, Austin, Visiting Professor and Senior Research Fellow, 1980-82.
Eötvös L. University, Docent (Associate Professor), 1977-80.
University of California, Berkeley, Visiting Associate Professor, 1976.
University of Texas, Visiting Scholar, 1976.
Eötvös L. University, Budapest, Research and Senior Research Fellow, 1970-76.

Activities

Education and qualifications (2)

Universität Stuttgart: Stuttgart, Baden-Württemberg, DE

1967 to 1970 | Dr. rer. nat. (Ph. D) (Chemistry)
Education
Source: Self-asserted source
Peter Pulay

Eötvös Loránd University: Budapest, Budapest, HU

1958-09 to 1963-06 | M. S. (Chemistry)
Education
Source: Self-asserted source
Peter Pulay

Professional activities (12)

American Chemical Society: Washington, DC, US

2017 | National Award (Theoretical Chemistry)
Distinction
Source: Self-asserted source
Peter Pulay

American Association for the Advancement of Science: Washington, DC, US

2005 | Elected Fellow
Distinction
Source: Self-asserted source
Peter Pulay

American Chemical Society: Washington, DC, US

2004 | Included in the 125 most cited papers (No. 64) of the Journal of the American Chemical Society at its 125th anniversary (Chemistry)
Distinction
Source: Self-asserted source
Peter Pulay

World Association of Theoretical and Computational Chemists : London, GB

2003 | Schrödinger Medal
Distinction
Source: Self-asserted source
Peter Pulay

Eötvös Loránd University: Budapest, Pest, HU

2001 | Honorary doctorate (Chemistry)
Distinction
Source: Self-asserted source
Peter Pulay

Alexander von Humboldt-Stiftung: Bonn, Nordrhein-Westfalen, DE

1995 | Senior Scientist Award (Chemistry)
Distinction
Source: Self-asserted source
Peter Pulay

International Society for Theoretical Chemical Physics: Stockholm, SE

1994 | Board of Directors
Distinction
Source: Self-asserted source
Peter Pulay

National Science Foundation: Washington, District of Columbia, US

1993 | Creativity Award (Chemistry)
Distinction
Source: Self-asserted source
Peter Pulay

International Academy of Quantum Molecular Sciences: Menton, FR

1990 | Elected Member
Distinction
Source: Self-asserted source
Peter Pulay

Royal Swedish Academy of Sciences: Stockholm, SE

1989 | Work cited in the background material of the 1989 Nobel Prize in Chemistry
Distinction
Source: Self-asserted source
Peter Pulay

Science Citation Index: Washington, District of Columbia, US

1988 | Citation Classic
Distinction
Source: Self-asserted source
Peter Pulay

International Academy of Quantum Molecular Science: Menton, FR

1982 | Annual Medal
Distinction
Source: Self-asserted source
Peter Pulay

Works (9)

Compact representation of generalized molecular polarizabilities and efficient calculation of polarization energy in an arbitrary electric field

International Journal of Quantum Chemistry
2022-04-15 | Journal article
Contributors: Krzysztof Wolinski; Peter Pulay
Source: check_circle
Crossref

Compact representation of generalized molecular polarizabilities and efficient calculation of polarization energy in an arbitrary electric field

2021-05-25 | Other
Contributors: Krzysztof Wolinski; Peter Pulay
Source: check_circle
Crossref

Comparison of Methods for Active Orbital Selection in Multiconfigurational Calculations

Journal of Chemical Theory and Computation
2020-12-08 | Journal article
Contributors: Zsuzsanna Tóth; Peter Pulay
Source: check_circle
Crossref

Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems

Journal of Chemical Theory and Computation
2019-06-11 | Journal article
Contributors: Zhigang Ni; Yuqi Wang; Wei Li; Peter Pulay; Shuhua Li
Source: check_circle
Crossref

Automatic Construction of the Initial Orbitals for Efficient Generalized Valence Bond Calculations of Large Systems

Journal of Chemical Theory and Computation
2019-01-08 | Journal article
Contributors: Qingchun Wang; Jingxiang Zou; Enhua Xu; Peter Pulay; Shuhua Li
Source: check_circle
Crossref

Benchmark Relative Energies for Large Water Clusters with the Generalized Energy-Based Fragmentation Method

Journal of Chemical Theory and Computation
2017-06-13 | Journal article
Contributors: Dandan Yuan; Yunzhi Li; Zhigang Ni; Peter Pulay; Wei Li; Shuhua Li
Source: check_circle
Crossref

Approximate Force Constants from Uncoupled Self-Consistent Field Perturbation Theory Using Nonhybrid Density Functional Theory

The Journal of Physical Chemistry A
2017-01-12 | Journal article
Contributors: Zhigang Ni; Krzysztof Wolinski; Peter Pulay
Source: check_circle
Crossref

Finding symmetry breaking Hartree-Fock solutions: The case of triplet instability

The Journal of Chemical Physics
2016-10-28 | Journal article
Contributors: Zsuzsanna Tóth; Peter Pulay
Source: check_circle
Crossref

Selection of active spaces for multiconfigurational wavefunctions

The Journal of Chemical Physics
2015-06-28 | Journal article
Contributors: Sebastian Keller; Katharina Boguslawski; Tomasz Janowski; Markus Reiher; Peter Pulay
Source: check_circle
Crossref

Peer review (24 reviews for 5 publications/grants)

Review activity for Accounts of chemical research. (1)
Review activity for Journal of chemical physics. (4)
Review activity for Journal of chemical theory and computation : (16)
Review activity for Journal of the American Chemical Society. (1)
Review activity for The journal of physical chemistry. (2)