Publications#

Note

Only first author and selected papers are listed in this page.

Full publications lists can be found from Google Scholar or Researchgate or CV:

At University of Maryland#

Lee, S.#; Wang, R.#; Herron, L., Tiwary P., Predicting Chemical Properties at Environments outside Training Data with Generative AI & Statistical Mechanics. Under preparation.

Wang, R. #; Meraz V.#; Tiwary P., Machine Learning Driven Advances in Molecular Dynamics of Solvated, Interfacial Systems. Chem. Soc. Rev 2025, Under preparation.

Wang, R.; and Tiwary P., Electric Field’s Dueling Effects through Dehydration and Ion Separation in Driving NaCl Nucleation at Charged Nanoconfined Interfaces. JACS (in revision), 2025. preprint

Tiwary, P.; Herron, L.#; John, R.#; Lee, S.#; Sanwal D.# & Wang, R.#, Generative Artificial Intelligence for Computational Chemistry: a Roadmap to Predicting Emergent Phenomena. Proc. Natl. Acad. Sci. U.S.A. 2025, accepted. preprint

Wang, R.; and Tiwary P., Atomic scale insights into NaCl nucleation in nanoconfined environments. Chem. Sci. 2024, DOI: 10.1039/D4SC04042B. PDF

Wang, R.; Zou, Z.; Mehdi S.; and Tiwary P., Is the Local Ion Density Sufficient to Drive NaCl Nucleation from the Melt and Aqueous Solution? J. Phys. Chem. B 2024, DOI: 10.1021/acs.jpcb.3c06735. PDF, preprint

At Temple University#

Wang, R.; Remsing, R. C.; Klein, M. L.; Borguet, E.; Carnevale, V., On the role of α-alumina in the origin of life: Surface driven assembly of amino acids. Sci. Adv. 2025, accepted. preprint

Wang, R.; DelloStritto, M.; Klein, M. L.; Borguet, E.; Carnevale, V., Topological properties of interfacial hydrogen bond networks. Phys. Rev. B 2024, DOI: 10.1103/PhysRevB.110.014105. PDF, preprint

Xu, P.#; Wang, R.#; Zhang, H.; Carnevale, V.; Borguet, E.; Suntivich, J., Cation Modifies Interfacial Water Structures on Platinum during Alkaline Hydrogen Electrocatalysis. J. Am. Chem. Soc. 2024, DOI: 10.1021/jacs.3c09128. PDF, preprint

Wang, R.*; Zou, Y.; Remsing, R. C.; Ross, N.; Klein, M. L.; Carnevale, V.; Borguet, E., Superhydrophilicity of α-Alumina Surfaces Results from Tight Binding of Interfacial Waters to Specific Aluminols. J. Colloid Interface Sci. 2022, DOI: 10.1016/j.jcis.2022.07.164. PDF, preprint

Wang, R.; Klein M.; Carnevale V; Borguet E., Investigation of Water/Solid Interfaces by Molecular Dynamic Simulations. Wiley Interdiscip. Rev. Comput. Mol. Sci. 2021, e1537. PDF, preprint

Wang, R.; Carnevale V.; Klein M.; Borguet E., First Principles Calculation of Water pKa Using the Newly Developed SCAN Functional. J. Phys. Chem. Lett. 2020, 11, 54-59. PDF

Wang, R.; DelloStritto, M.; Remsing, R. C.; Carnevale, V.; Klein, M. L.; Borguet, E., Sodium Halide Adsorption and Water Structure at the α-Alumina(0001)/Water Interface. J. Phys. Chem. C 2019, 123, 15618-15628. PDF, preprint

At Nankai University#

Wang, R.; Pan, J.; Qin, M.; Guo, T., Molecularly imprinted nanocapsule mimicking phosphotriesterase for the catalytic hydrolysis of organophosphorus pesticides. Eur. Polym. J. 2019, 110, 1-8. PDF

Note:

*: I am (one of) corresponding author(s).

#: Authors contribute equally.