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Markee Katherine - One of the best experts on this subject based on the ideXlab platform.

  • Oral history interview with Robert A. Benkeser, 2009 Jun. 16
    2009
    Co-Authors: Benkeser, Robert A., Markee Katherine
    Abstract:

    Robert A. Benkeser, Hovde Distinguished Service Professor Emeritus of Chemistry, was born February 16, 1916. He received a BS from Xavier in 1942 and Ph.D. from Iowa State in 1947. He came to Purdue soon after as an assistant professor of Chemistry and remained in the department until retiring in 1989. Henry Bohn Haas was the Department Head, when Benkeser came to the department. His research was in organic-metallic Chemistry and he is known for the Benkeser Reduction Reaction. He served as department head from 1972-1977 and talks about the challenges, initiatives, and responsibilities of the position. Benkeser shares comments about colleagues Herbert C. Brown (Nobel Laureate) and Guy Mellon, an analytic chemist for whom the Chemistry Library has its name. He is the recipient of a Distinguished Professorship, as well as being listed in the Great Book of Teachers. Benkeser was awarded the Charles B. Murphy Outstanding Undergraduate Teaching Award in 1971

  • Oral history interview with Robert A. Benkeser, 2009 Jun. 12
    2009
    Co-Authors: Benkeser, Robert A., Markee Katherine
    Abstract:

    Robert A. Benkeser, Hovde Distinguished Service Professor Emeritus of Chemistry, was born February 16, 1916. He received a BS from Xavier in 1942 and Ph.D. from Iowa State in 1947. He came to Purdue soon after as an assistant professor of Chemistry and remained in the department until retiring in 1989. Henry Bohn Haas was the Department Head, when Benkeser came to the department. His research was in organic-metallic Chemistry and he is known for the Benkeser Reduction Reaction. He served as department head from 1972-1977 and talks about the challenges, initiatives, and responsibilities of the position. Benkeser shares comments about colleagues Herbert C. Brown (Nobel Laureate) and Guy Mellon, an analytic chemist for whom the Chemistry Library has its name. He is the recipient of a Distinguished Professorship, as well as being listed in the Great Book of Teachers. Benkeser was awarded the Charles B. Murphy Outstanding Undergraduate Teaching Award in 1971

Martin M Murphy - One of the best experts on this subject based on the ideXlab platform.

Benkeser, Robert A. - One of the best experts on this subject based on the ideXlab platform.

  • Oral history interview with Robert A. Benkeser, 2009 Jun. 16
    2009
    Co-Authors: Benkeser, Robert A., Markee Katherine
    Abstract:

    Robert A. Benkeser, Hovde Distinguished Service Professor Emeritus of Chemistry, was born February 16, 1916. He received a BS from Xavier in 1942 and Ph.D. from Iowa State in 1947. He came to Purdue soon after as an assistant professor of Chemistry and remained in the department until retiring in 1989. Henry Bohn Haas was the Department Head, when Benkeser came to the department. His research was in organic-metallic Chemistry and he is known for the Benkeser Reduction Reaction. He served as department head from 1972-1977 and talks about the challenges, initiatives, and responsibilities of the position. Benkeser shares comments about colleagues Herbert C. Brown (Nobel Laureate) and Guy Mellon, an analytic chemist for whom the Chemistry Library has its name. He is the recipient of a Distinguished Professorship, as well as being listed in the Great Book of Teachers. Benkeser was awarded the Charles B. Murphy Outstanding Undergraduate Teaching Award in 1971

  • Oral history interview with Robert A. Benkeser, 2009 Jun. 12
    2009
    Co-Authors: Benkeser, Robert A., Markee Katherine
    Abstract:

    Robert A. Benkeser, Hovde Distinguished Service Professor Emeritus of Chemistry, was born February 16, 1916. He received a BS from Xavier in 1942 and Ph.D. from Iowa State in 1947. He came to Purdue soon after as an assistant professor of Chemistry and remained in the department until retiring in 1989. Henry Bohn Haas was the Department Head, when Benkeser came to the department. His research was in organic-metallic Chemistry and he is known for the Benkeser Reduction Reaction. He served as department head from 1972-1977 and talks about the challenges, initiatives, and responsibilities of the position. Benkeser shares comments about colleagues Herbert C. Brown (Nobel Laureate) and Guy Mellon, an analytic chemist for whom the Chemistry Library has its name. He is the recipient of a Distinguished Professorship, as well as being listed in the Great Book of Teachers. Benkeser was awarded the Charles B. Murphy Outstanding Undergraduate Teaching Award in 1971

Ying Luo - One of the best experts on this subject based on the ideXlab platform.

Karol Kowalski - One of the best experts on this subject based on the ideXlab platform.

  • q and nwchem tools for scalable quantum Chemistry on quantum computers
    2019
    Co-Authors: Guang Hao Low, Bo Peng, Nicholas P Bauman, Christopher Granade, Nathan Wiebe, Eric J Bylaska, Dave Wecker, Sriram Krishnamoorthy, Martin Roetteler, Karol Kowalski
    Abstract:

    Fault-tolerant quantum computation promises to solve outstanding problems in quantum Chemistry within the next decade. Realizing this promise requires scalable tools that allow users to translate descriptions of electronic structure problems to optimized quantum gate sequences executed on physical hardware, without requiring specialized quantum computing knowledge. To this end, we present a quantum Chemistry Library, under the open-source MIT license, that implements and enables straightforward use of state-of-art quantum simulation algorithms. The Library is implemented in Q#, a language designed to express quantum algorithms at scale, and interfaces with NWChem, a leading electronic structure package. We define a standardized schema for this interface, Broombridge, that describes second-quantized Hamiltonians, along with metadata required for effective quantum simulation, such as trial wavefunction ansatzes. This schema is generated for arbitrary molecules by NWChem, conveniently accessible, for instance, through Docker containers and a recently developed web interface EMSL Arrows. We illustrate use of the Library with various examples, including ground- and excited-state calculations for LiH, H$_{10}$, and C$_{20}$ with an active-space simplification, and automatically obtain resource estimates for classically intractable examples.