Matthew S. Emerson
Research Staff 3 Chemistry, Electron- and Photo-Induced Processes for Molecular Energy Conversion Group, Chemistry Division
Brookhaven National Laboratory
Chemistry Division
Bldg. 555
P.O. Box 5000
Upton, NY 11973-5000
(631) 344-8367
memerson@bnl.gov
Matthew is a research staff member in the Chemistry Division at Brookhaven National Laboratory, where he studies the structure, dynamics, and radiation-driven chemistry of complex ionic fluids. His research combines ultrafast radiation chemistry, X-ray and neutron scattering, molecular dynamics simulations, and machine learning approaches to understand molten salts and room-temperature ionic liquids relevant to energy technologies, nuclear energy systems, separations, and chemical reactivity in extreme environments.
Matthew’s work focuses on connecting molecular-scale structure and dynamics to macroscopic chemical behavior, including radiolysis, corrosion-relevant redox chemistry, ion speciation, transport, and structural heterogeneity in dense ionic media. He develops and applies experimental and computational methods to reveal how local coordination environments, ion networks, and electronic polarization govern the chemistry of molten salts and ionic liquids.
Expertise | Research | Education | Appointments | Publications | Video
Expertise
Dense ionic fluids, molten salts, and room-temperature ionic liquids, including the following:
- Ultrafast radiation chemistry and picosecond electron pulse radiolysis
- Polarizable and Ab-initio Molecular dynamics simulations
- Machine learning methods for connecting simulations with experimental spectra
- High-performance computing, including MPI, CUDA, Kokkos, C/C++, Fortran, and Python
- Synchrotron X-ray and neutron scattering and reflectivity measurements
- Polarizable ion models and force-field development
Research Activities
Electron- and Photo-Induced Processes for Molecular Energy Conversion Group
Education
Ph. D., Computational Chemistry, The University of Iowa, 2024 (w/ Claudio J. Margulis)
B.A., Physical Chemistry, Rutgers, The State University of New Jersey, 2018 (w/ Edward J. Castner, Jr.)
Professional Appointments
Research Staff 3 Chemistry, BNL, 2026-Present
Research Associate Chemistry, BNL, 2024-2026
Visiting Researcher at the United States Environmental Protection Agency (USEPA), Summer 2016 (w/ Matthew Landis)
Selected Publications
- Borah B, Emerson MS, Roy S, et al (2026) La3+ Networks and Speciation in the Molten State: Impact of Spacer Salt Selection on Structural Heterogeneity. Journal of the American Chemical Society 148:12476–12480. https://doi.org/10.1021/jacs.5c22776
- Buttice K, Goh B, Emerson MS, et al (2026) Redox Buffering and Corrosion in Molten Chloride Salts Dictated by Chlorobasicity. https://doi.org/10.26434/chemrxiv.15003841/v1
- Emerson MS, Lall-Ramnarine SI, Hatcher-Lamarre JL, et al (2026) Effects of Dimethylamino Functional Group Substitution on the Physical, Structural and Radiolytic Properties of Pyridinium Ionic Liquids. Processes 14:1208. https://doi.org/10.3390/pr14081208
- Emerson MS, Fetherolf J, Wu B, et al (2026) How alkyl branching shapes structure in imidazolium and pyrrolidinium NTf2 ionic liquids. Journal of Ionic Liquids 6:100209. https://doi.org/10.1016/j.jil.2026.100209
- Emerson MS, Ogbodo R, Margulis CJ (2024) Spiers Memorial Lecture: From Cold to Hot, The Structure and Structural Dynamics of Dense Ionic Fluids. Faraday Discussions. https://doi.org/10.1039/d4fd00086b
- Emerson MS, Ivanov AS, Gallington LC, et al (2024) Heterogeneous Structure, Mechanisms of Counterion Exchange, and the Spacer Salt Effect in Complex Molten Salt Mixtures Including LaCl3. The Journal of Physical Chemistry B 128:3972–3980. https://doi.org/10.1021/acs.jpcb.4c01429
- Emerson MS, Sharma S, Roy S, et al (2022) Complete Description of the LaCl3–NaCl Melt Structure and the Concept of a Spacer Salt That Causes Structural Heterogeneity. Journal of the American Chemical Society 144:21751–21762. https://doi.org/10.1021/jacs.2c09987
- Sharma S, Emerson MS, Wu F, et al (2020) SEM-Drude Model for the Accurate and Efficient Simulation of MgCl2–KCl Mixtures in the Condensed Phase. The Journal of Physical Chemistry A 124:7832–7842. https://doi.org/10.1021/acs.jpca.0c06721
- Borah B, Acharya GR, Grajeda D, et al (2023) Do Ionic Liquids Slow Down in Stages? Journal of the American Chemical Society 145:25518–25522. https://doi.org/10.1021/jacs.3c08639
- Nguyen HH, Gibson LD, Emerson MS, et al (2025) Chlorine gas and anion radical reactivity in molten salts and the link to chlorobasicity. Physical Chemistry Chemical Physics 27:4290–4297. https://doi.org/10.1039/d4cp03285c
Featured Video
Salt for the Earth
June 16, 2019
The Molten Salts in Extreme Environments Energy Frontier Research Center's mission is to study the fundamental properties of molten salts so that they can be used in molten salt nuclear reactors, which will be safer, more efficient and modular, providing a sustainable source of power. Our team consists of six institutions that excel in X-ray and neutron science, in working with actinides, in working under extreme conditions, and performing computer simulations of molten salts and their interactions with materials.
The Molten Salts in Extreme Environments Energy Frontier Research Center's mission is to study the fundamental properties of molten salts so that they can be used in molten salt nuclear reactors, which will be safer, more efficient and modular, providing a sustainable source of power. Our team consists of six institutions that excel in X-ray and neutron science, in working with actinides, in working under extreme conditions, and performing computer simulations of molten salts and their interactions with materials.
Brookhaven National Laboratory
Chemistry Division
Bldg. 555
P.O. Box 5000
Upton, NY 11973-5000
(631) 344-8367
memerson@bnl.gov
