Viewpoints on the 2017 American Conference on Theoretical Chemistry

Goldsmith, Zachary K.; Provazza, Justin; Seritan, Stefan

doi:10.1021/acs.jpca.7b09624

Title: Viewpoints on the 2017 American Conference on Theoretical Chemistry

Full Record
Other Related Research

Abstract

From July 17th to 21st, theoretical chemists from the United States and abroad gathered at Boston University to take part in the 2017 American Conference on Theoretical Chemistry (ACTC, http://meetatbu.com/actc). The ACTC grew out of a Gordon Research Conference held biennially from 1962 to 1970. The conference in its current form has been held every three years since 1972. The 2017 conference was chaired by Sharon Hammes-Schiffer (Univ. of Illinois at Urbana-Champaign) and vice-chaired by Todd J. Martiń ez (Stanford Univ). David F. Coker of Boston University served as the Deputy Chair and Local Organizer. More than 30 professors at the forefronts of their respective fields gave talks describing recent research developments. Additionally, over 170 students and postdocs contributed posters detailing their research efforts in theoretical chemistry and its numerous intersecting disciplines. This Viewpoint contains accounts of many of the talks given at the ACTC, delineated by the following concentrations: energy and electron transfer, materials and interfaces, quantum dynamics and spectroscopy, electronic structure, machine learning, and modeling in solution and biological environments. However, most talks could have easily been categorized under two or more of the concentrations listed, emblematic of the large and growing interdisciplinarity in the theoretical chemistry community.more »« less

Authors:

Goldsmith, Zachary K. ^[1]; Provazza, Justin ^[2]; Seritan, Stefan ^[3]

Univ. of Illinois, Urbana-Champaign, IL (United States)
Boston Univ., MA (United States)
Stanford Univ., CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)

Publication Date:: 2017-10-19

Research Org.:: SLAC National Accelerator Lab., Menlo Park, CA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1419635

Grant/Contract Number:: AC02-76SF00515

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

Additional Journal Information:: Journal Volume: 121; Journal Issue: 41; Journal ID: ISSN 1089-5639

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Goldsmith, Zachary K., Provazza, Justin, and Seritan, Stefan. Viewpoints on the 2017 American Conference on Theoretical Chemistry.  United States: N. p., 2017. 
Web.  doi:10.1021/acs.jpca.7b09624.

Copy to clipboard


                    Goldsmith, Zachary K., Provazza, Justin, & Seritan, Stefan. Viewpoints on the 2017 American Conference on Theoretical Chemistry.  United States.  https://doi.org/10.1021/acs.jpca.7b09624

Copy to clipboard


                    Goldsmith, Zachary K., Provazza, Justin, and Seritan, Stefan. Thu .  
"Viewpoints on the 2017 American Conference on Theoretical Chemistry".  United States.  https://doi.org/10.1021/acs.jpca.7b09624.  https://www.osti.gov/servlets/purl/1419635.

Copy to clipboard


                    
@article{osti_1419635,

  title        = {Viewpoints on the 2017 American Conference on Theoretical Chemistry},

  author       = {Goldsmith, Zachary K. and Provazza, Justin and Seritan, Stefan},

  abstractNote = {From July 17th to 21st, theoretical chemists from the United States and abroad gathered at Boston University to take part in the 2017 American Conference on Theoretical Chemistry (ACTC, http://meetatbu.com/actc). The ACTC grew out of a Gordon Research Conference held biennially from 1962 to 1970. The conference in its current form has been held every three years since 1972. The 2017 conference was chaired by Sharon Hammes-Schiffer (Univ. of Illinois at Urbana-Champaign) and vice-chaired by Todd J. Martiń ez (Stanford Univ). David F. Coker of Boston University served as the Deputy Chair and Local Organizer. More than 30 professors at the forefronts of their respective fields gave talks describing recent research developments. Additionally, over 170 students and postdocs contributed posters detailing their research efforts in theoretical chemistry and its numerous intersecting disciplines. This Viewpoint contains accounts of many of the talks given at the ACTC, delineated by the following concentrations: energy and electron transfer, materials and interfaces, quantum dynamics and spectroscopy, electronic structure, machine learning, and modeling in solution and biological environments. However, most talks could have easily been categorized under two or more of the concentrations listed, emblematic of the large and growing interdisciplinarity in the theoretical chemistry community. The 2017 ACTC was a demonstration of both the depth at which theoretical chemists are understanding fundamental phenomena and the large breadth of topics to which a theoretical chemistry perspective is being applied.},

  doi          = {10.1021/acs.jpca.7b09624},

  journal      = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},

  number       = 41,

  volume       = 121,

  place        = {United States},

  year         = {2017},

  month        = {10}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1021/acs.jpca.7b09624

Other availability

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Similar Records in DOE PAGES and OSTI.GOV collections:

Support for the American Conference on Theoretical Chemistry

Technical Report David, Coker Frederick ; Hammes-Schiffer, Sharon ; Martińez, Todd

From July 17th to 21st, 2017 theoretical chemists from the United States and abroad gathered at Boston University to take part in the 2017 American Conference on Theoretical Chemistry. The ACTC grew out of a Gordon Research Conference held biennially from 1962 to 1970. The conference in its current form has been held every three years since 1972. The 2017 conference was chaired by Sharon Hammes-Schiffer (Univ. of Illinois at Urbana-Champaign) and vice-chaired by Todd J. Martińez (Stanford Univ). David F. Coker of Boston University served as the Deputy Chair and Local Organizer. More than 30 professors at the forefrontsmore »« less
https://doi.org/10.2172/1543446

Full Text Available
The 2011 Dynamics of Molecular Collisions Conference

Other Nesbitt, David J.

The Dynamics of Molecular Collisions Conference focuses on all aspects of molecular collisions--experimental & theoretical studies of elastic, inelastic, & reactive encounters involving atoms, molecules, ions, clusters, & surfaces--as well as half collisions--photodissociation, photo-induced reaction, & photodesorption. The scientific program for the meeting in 2011 included exciting advances in both the core & multidisciplinary forefronts of the study of molecular collision processes. Following the format of the 2009 meeting, we also invited sessions in special topics that involve interfacial dynamics, novel emerging spectroscopies, chemical dynamics in atmospheric, combustion & interstellar environments, as well as a session devoted to theoretical &more »« less
Full Text Available
Sixth International Conference on Systems Biology (ICSB 2005)

Technical Report Murray, Andrew

This grant supported the Sixth International Conference on Systems Biology (ICSB 2005), held in Boston, Massachusetts from October 19th to 22nd, 2005. The ICSB is the only major, annual, international conference focused exclusively on the important emerging field of systems biology. It draws together scientists with expertise in theoretical, computational and experimental approaches to understanding biological systems at many levels. Previous ICSB meetings have been held in Tokyo (2000), at Caltech (2001), at the Karolinska Institute (2002), at Washington University in St. Louis (2003), and in Heidelberg (2004). These conferences have been increasingly successful at bringing together the growing communitymore »« less
https://doi.org/10.2172/909148

Full Text Available
STI. DE-FG02-00ER1505 [Brief summary of 11th International Conference on Arabidopsis Research]

Technical Report

The 11th International Conference on Arabidopsis Research was held in Madison, Wisconsin, June 24 through June 28, 2000. Arabidopsis thaliana has been the subject of genetic study for many years. However, during the last decade, the number of research laboratories using Arabidopsis as a model system has increased tremendously, and Arabidopsis is currently being used to study all aspects of plant biology. The rapid rate of progress in Arabidopsis research, including the completion of the genomic sequence, underscores the usefulness of holding a meeting every year. These conferences provide an important opportunity for the Arabidopsis community to interact and exchangemore »« less
https://doi.org/10.2172/807954

Full Text Available
Molecular Quantum Mechanics 2010: From Methylene to DNA and Beyond Conference Support

Technical Report

This grant was $12500 for partial support of an international conference, Molecular Quantum Mechanics 2010, which was held on the campus of the University of California, Berkeley, from 24 to 29 May 2010. The conference involved more than 250 participants. The conference schedule ran from as early as 8:00 AM to as late as 10:30 PM at night, in order to accommodate six historical lectures, 16 plenary lectures, 42 invited talks and two very strong poster sessions containing 143 contributed posters. Since 1989, the Molecular Quantum Mechanics (MQM) series of international conferences has show- cased the frontiers of research inmore »« less
https://doi.org/10.2172/1079680

Full Text Available

Similar Records