NIST-CHiMaD Postdoctoral Fellow (2019- Present)
Develop and validate all atom molecular dynamics simulations protocols to study polymers/block copolymers' properties such as density, radius of gyration, surface tension, glass transition temperature etc
Study effects of block composition in random block copolymers on surface tension and density
Collaborate with external researchers (prof. Juan de Pablo and Paul Nealey labs in the University of Chicago) to develop block copolymers materials for lithographic applications
Postdoctoral Fellow (2017 - 2019)
Department of Materials Science and Engineering, Northwestern University, Evanston IL
Supervisor: Prof. Monica Olvera de la Cruz
Developed coarse-grained molecular dynamics simulations approaches to study proteins self-assembly
Studied effects of surface charge density, solution pH/protein charges, salt and protein concentrations on protein adsorption modes (“standing up” vs “flat on” vs a mixed state) and pattern formations on surfaces
Investigated physical properties of linkers (both free linkers and grafted linkers to protein surface cases) for constructing porous yet order protein superlattices
Graduate Research Assistant (2012 - 2017)
Department of Physics, Kansas State University
Supervisor: Prof. Jeremy Schmit
Developed models to represent protein states for understanding mechanism of salting in/out and Hofmeister effects
Calculated free energies of protein states at various conditions such as salt concentration, salt type, and solution pH
Developed and implemented Monte Carlo simulation model to investigate protein crystal growth and associated growth self-poisoning (one of the kinetic traps)
Peer Reviewed Publications:
Yuba Raj Dahal and Monica Olvera de la Cruz, “Controlling protein adsorption modes electrostatically”, Soft Matter, 16, 5224-5232, 2020.
Yuba Raj Dahal and Monica Olvera de la Cruz, “Crystallizing protein assemblies via free and grafted linkers”, Soft Matter, 15, 4311-4319, 2019.
Yuba Raj Dahal and Jeremy D. Schmit, “Ion Specificity and Nonmonotonic Protein Solubility from Salt Entropy”, Biophysical Journal, 114, 76-87, 2018.
Stephen Whitelam, Yuba Raj Dahal, and Jeremy D. Schmit, “Minimal physical requirements for crystal growth self-poisoning”,J. Chem. Phys., 144, 064903, 2016.
Nathan Duff, Yuba Raj Dahal, Jeremy D Schmit, Baron Peters, “Salting out the polar polymorph: Analysis by alchemical solvent transformation”, J. Chem. Phys.,140, 014501, 2014.