Eric Schwegler
Affiliations: | Lawrence Livermore National Laboratory, Livermore, CA, United States |
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Parents
Sign in to add mentor| Ludwik Adamowicz | grad student | ||
| Jan E. Almlöf | grad student | ||
| Donald G. Truhlar | grad student | UMN |
Children
Sign in to add trainee| Heather Kulik | research assistant | LLNL | |
| Heather D. Whitley | post-doc | LLNL |
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Publications
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| Aluru NR, Aydin F, Bazant MZ, et al. (2023) Fluids and Electrolytes under Confinement in Single-Digit Nanopores. Chemical Reviews |
| Aydin F, Zhan C, Ritt C, et al. (2020) Similarities and differences between potassium and ammonium ions in liquid water: a first-principles study. Physical Chemistry Chemical Physics : Pccp |
| Faucher S, Aluru N, Bazant MZ, et al. (2019) Critical Knowledge Gaps in Mass Transport through Single-Digit Nanopores: A Review and Perspective The Journal of Physical Chemistry C. 123: 21309-21326 |
| Pham TA, Govoni M, Seidel R, et al. (2017) Electronic structure of aqueous solutions: Bridging the gap between theory and experiments. Science Advances. 3: e1603210 |
| Pham TA, Ogitsu T, Lau EY, et al. (2016) Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations. The Journal of Chemical Physics. 145: 154501 |
| Goliaei A, Lau EY, Adhikari U, et al. (2016) Behavior of P85 and P188 Poloxamer Molecules: Computer Simulations Using United Atom Force Field. The Journal of Physical Chemistry. B |
| Samanta A, Morales MA, Schwegler E. (2016) Exploring the free energy surface using ab initio molecular dynamics. The Journal of Chemical Physics. 144: 164101 |
| Pham TA, Mortuza SMG, Wood BC, et al. (2016) Salt Solutions in Carbon Nanotubes: The Role of Cation-π Interactions Journal of Physical Chemistry C. 120: 7332-7338 |
| Choi WI, Wood BC, Schwegler E, et al. (2015) Combinatorial Search for High-Activity Hydrogen Catalysts Based on Transition-Metal-Embedded Graphitic Carbons Advanced Energy Materials. 5 |
| Pham TA, Lee D, Schwegler E, et al. (2014) Interfacial effects on the band edges of functionalized si surfaces in liquid water. Journal of the American Chemical Society. 136: 17071-7 |