Laura Marie McCaslin
Senior Member of the Technical Staff, Combustion Research Facility
Senior Member of the Technical Staff, Combustion Research Facility
Biography
Laura M. McCaslin, Senior Member of the Technical Staff in the CRF at Sandia, specializes in calculating infrared and photoelectron spectra from molecular dynamics simulations to complement experimental data. One of McCaslin’s main research interests lies in calculating the motion of molecules in their excited electronic and vibrational states to study energy and charge transfer in molecular systems. Her research focuses on studying the dynamics of molecules and molecular reactions using ab initio theoretical techniques.
Education
| Ph.D. | Physical Chemistry | University of Texas, Austin | 2016 |
| B.S. | Chemical Biology | University of California, Berkeley | 2012 |
Research Interests
- Gas phase molecular dynamics
- Ab initio molecular dynamics
- Electronic structure
- Machine learning
- Quantum dynamics
- Vibrational spectroscopy
Awards
| Postdoctoral Fellow, Hebrew University of Jerusalem (2017-2019) | |
| Penn Conference for Theoretical Chemistry Postdoctoral Fellow (2019) | |
| Zuckerman STEM Leadership Postdoctoral Fellowship (2017-2019) | |
| Welch Summer PhD Fellowship (2013) | |
| F. A. Matsen Endowed Presidential Recruitment Fellowship for Theoretical Chemistry (2012) |
Publications
Neil Cole-Filipiak, Jan Troß, Paul Schrader, Laura McCaslin, Krupa Ramasesha, (2022). Ultrafast infrared transient absorption spectroscopy of gas-phase Ni(CO)4photodissociation at 261 nm Journal of Chemical Physics https://doi.org/10.1063/5.0080844 Publication ID: 80614
Neil Cole-Filipiak, Jan Troß, Susana Herrera, Christopher Kliewer, Laura McCaslin, Krupa Ramasesha, Andrew Attar, Ming-Fu Lin, Thomas Wolf, Alex Reid, Jie Yang, Fuhao Ji, Yusong Liu, J. Nunes, Xiaozhe Shen, Matthias Hoffmann, Duan Luo, Xijie Wang, (2021). Dimethyl disulfide dissociation is both ultrafast and very slow https://doi.org/10.2172/1886191 Publication ID: 75549
Neil Cole-Filipiak, Jan Troß, Susana Herrera, Christopher Kliewer, Laura McCaslin, Krupa Ramasesha, Andrew Attar, Ming-Fu Lin, Thomas Wolf, Alex Reid, Jie Yang, Fuhao Ji, Yusong Liu, J. Nunes, Xiaozhe Shen, Matthias Hoffmann, Duan Luo, Xijie Wang, (2021). Dimethyl disulfide dissociation is both ultrafast and very slow https://www.osti.gov/servlets/purl/1886198 Publication ID: 75555
Neil Cole-Filipiak, Jan Troß, Paul Schrader, Laura McCaslin, Krupa Ramasesha, (2021). Ultraviolet photodissociation of gas-phase iron pentacarbonyl probed with ultrafast infrared spectroscopy Journal of Chemical Physics https://doi.org/10.1063/5.0041074 Publication ID: 77663
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