H. Bernhard Schlegel
Wayne State University
Hans Bernhard "Berny" Schlegel is a German-born computational and theoretical chemist, and distinguished professor at Wayne State University. He is a highly cited chemist, with a Thomson Reuters H-Index of 116 and citations of over 218,000 as of 2020. He is a professor of chemistry at the Wayne State University and co-author of the computational chemistry software, Gaussian. The "Berny optimization" as implemented in Gaussian is named after him. His group also created the Electronic Structure Pe
Read biography ↓Biography, research & contributions
Hans Bernhard "Berny" Schlegel is a German-born computational and theoretical chemist, and distinguished professor at Wayne State University. He is a highly cited chemist, with a Thomson Reuters H-Index of 116 and citations of over 218,000 as of 2020. He is a professor of chemistry at the Wayne State University and co-author of the computational chemistry software, Gaussian. The "Berny optimization" as implemented in Gaussian is named after him. His group also created the Electronic Structure Perl Toolkit (ESPT).
Affiliation
Wayne State University
Top Publications
- An improved algorithm for reaction path following (1989) - 6,180 citations
- Reaction path following in mass-weighted internal coordinates (1990) - 6,013 citations
- Optimization of equilibrium geometries and transition structures (1982) - 3,940 citations
- Using redundant internal coordinates to optimize equilibrium geometries and transition states (1996) - 2,756 citations
- Combining Synchronous Transit and Quasi‐Newton Methods to Find Transition States (1993) - 2,093 citations
At a glance
- Full name
- H. Bernhard Schlegel
- ORCID
- 0000-0001-7114-2821
- OpenAlex ID
- https://openalex.org/A5072645125
Research interests
- Advanced Chemical Physics Studies, Advanced Physical and Chemical Molecular Interactions, Chemical Reaction Mechanisms, Crystal structures of chemical compounds, Crystallography and molecular interactions
Research topics
Education
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Selected research & further reading
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See the source-linked reading and original works in the research guide above.
Citation & publication trends
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Source: OpenAlex · Retrieved 2026-10-07. Metrics are database-specific and are not a scientific ranking.
Most-cited linked publications
Publications matched across ORCID and OpenAlex. Citation counts are source-specific.
- An improved algorithm for reaction path following ↗1989 · The Journal of Chemical Physics6,180OpenAlex citations
- Reaction path following in mass-weighted internal coordinates ↗1990 · The Journal of Physical Chemistry6,013OpenAlex citations
- Optimization of equilibrium geometries and transition structures ↗1982 · Journal of Computational Chemistry3,940OpenAlex citations
- Using redundant internal coordinates to optimize equilibrium geometries and transition states ↗1996 · Journal of Computational Chemistry2,756OpenAlex citations
- Combining Synchronous Transit and Quasi‐Newton Methods to Find Transition States ↗1993 · Israel Journal of Chemistry2,093OpenAlex citations
Recent linked publications
Publications matched across ORCID and OpenAlex. Citation counts are source-specific.
- An improved algorithm for reaction path following ↗1989 · The Journal of Chemical Physics
- Reaction path following in mass-weighted internal coordinates ↗1990 · The Journal of Physical Chemistry
- Optimization of equilibrium geometries and transition structures ↗1982 · Journal of Computational Chemistry
- Using redundant internal coordinates to optimize equilibrium geometries and transition states ↗1996 · Journal of Computational Chemistry
- Combining Synchronous Transit and Quasi‐Newton Methods to Find Transition States ↗1993 · Israel Journal of Chemistry
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Editorial review: 2026-10-07 · Last data update: 2026-10-07 23:54:04
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