My research interests are in two distinct (yet miscible) categories:
Thermodynamics experimental data informatics. The NIST Thermodynamics Research Center (TRC) provides critically evaluated thermophysical and thermochemical property data complete with provenance and uncertainty. We develop software tools to transform information from primary sources into digital resources that drive model development and process engineering. Here are a few recent projects existing on both sides of the information flow:
NIST supports research opportunities for US Citizens at different stages of their career
If you are an undergraduate student interested in applying molecular dynamics simulations to condensed-phase systems, you may apply to the Summer Undergraduate Research Fellowship (SURF) (application typically due February 1).
If you are a postdoctoral candidate, we have openings available through the NRC Research Associateship Program. The application process involves developing a research proposal within the scope of listed opportunities; deadlines are February 1 and August 1. Please email me if you are interested in developing a proposal; here are my NRC-RAP opportunities:
D. Riccardi, Z. Trautt, A. Bazyleva, E. Paulechka, V. Diky, J.W. Magee, A.F. Kazakov, S.A. Townsend, C. D. Muzny, Towards improved FAIRness of the ThermoML Archive. Journal of Computational Chemistry 2022, 43 (12), 879-887 (doi:10.1002/jcc.26842)
A. Fang, K. Kroenlein, D. Riccardi, and A. Smolyanitsky, Highly mechanosensitive ion channels from graphene-embedded crown ethers. Nature Materials 2019, 18 (1), 76-81 (doi:10.1038/s41563-018-0220-4)
D. Riccardi, H.B. Guo, J.M. Parks, B. Gu, A.O. Summers, S.M. Miller, L. Liang, J.C. Smith, Why mercury prefers soft ligands, Journal of Physical Chemistry Letters 2013, 4 (14), 2317-2322 (doi:10.1021/jz401075b )
D. Riccardi, Q. Cui, G.N. Phillips Jr Evaluating elastic network models of crystalline biological molecules with temperature factors, correlated motions, and diffuse X-ray scattering, Biophysical Journal 2010, 99 (8), 2616-2625 (doi:10.1016/j.bpj.2010.08.013)
D. Riccardi, P. König, X. Prat-Resina, H. Yu, M. Elstner, T. Frauenheim, Q. Cui, “Proton holes” in long-range proton transfer reactions in solution and enzymes: A theoretical analysis, Journal of the American Chemical Society 2006, 128 (50), 16302-16311 (doi:10.1021/ja065451j)
I have lived in CT, NY, WI, TN, IN, and CO: (CT) grew up in West Haven; (NY) majored in biochemistry and found a passion for computational chemistry in the lab of Maria Gomez at Vassar College and then spent a year as a cooperative student at IBM in East Fishkill; (WI) executed thesis work on enzyme pKa and long-range proton transfer in the lab of Qiang Cui at the UW-Madison, Theoretical Chemistry Institute and then researched protein crystal dynamics in the lab of George N Phillips, Jr as a National Library of Medicine Computation and Informatics in Biology and Medicine Trainee; (TN) researched speciation of the mercuric ion as a postdoctoral fellow in the UT/ORNL Center for Molecular Biophysics; (IN) taught chemistry at Earlham College in Richmond for two years at a rate of twelve contact hours per semester; (CO) joined NIST/MML/ACMD/TRC as a research chemist in 2016.