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Yuba Dahal (Assoc)

NIST-CHiMaD Postdoctoral Fellow

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.


Created November 5, 2019, Updated November 9, 2021