2017 Annual Meeting

(7ih) Multiscale Simulations of Nonequilibrium Mechanisms in Aqueous Solutions

Author

Chaimovich, A. - Presenter, Max Planck Institute for Polymer Research
Personal Information:
I am a recent Alexander von Humboldt Research Fellow of the Max Planck Institute for Polymer Research. I am a Chemical Engineer by education, having received my Ph.D. at the University of California in Santa Barbara and my B.Eng. at McGill University in Montreal. I currently work as a data scientist at a private firm.

Research Interests:

My scientific research revolves around aqueous mechanisms on the molecular level (changes in polymer conformations, colloid aggregations, etc. in water). Importantly, such systems exhibit multiscale behavior: For example, a minor mutation in a protein sequence can cause a major error in a cell network. Aiming at clarifying the nuances of such issues, I employ my computational skills in multiscale simulations, which are algorithms for correctly and efficiently connecting microscopic and macroscopic models in soft matter. My most distinguished scientific achievements are the following:
  • While working with Prof. M. Scott Shell, I resolved a paradox between numerical predictions and empirical observations that has existed for decades, convincingly showing that the force between small hydrophobes is weak oscillatory and between large hydrophobes is strong monotonic.
  • While employed by Prof. Kurt Kremer, I formulated a multiscale strategy that gains an efficiency of as much as an order of magnitude, while describing the correct static and dynamic behavior of molecular liquids across their phase diagram.
I am currently moving in the direction of nonequilibrium systems relevant for environmental and pharmaceutical nanotechnologies, particularly focusing on adjusting their microscopic features for optimizing their macroscopic functions. At the onset of my career, I will pursue two specific routes in my research. The first one deals with impurity filtration via graphene nanochannels: My main goal here will be in optimizing a nanochannel in being permeable for water but selective against contaminants. The second one deals with drug delivery via liposome nanocarriers: My main goal here will be in optimizing a nanocarrier for releasing the bulk of a certain medicine in nominal time. Over time, I will incorporate these two projects in a research program that also explores multiscale phenomena in biology: In particular, I am interested in how microscopic mutations in residue sequences influence macroscopic errors in signal networks. Finally, I also have plans of collaborating across the globe (i.e., Prof. Jing Yu and Prof. John M. Frostad), as well as on the campus.

Teaching Interests:

I have a unique background in pedagogy. At university, I volunteered earlier on as a Teaching Aide, and I worked later on as a Teaching Assistant and as a Teaching Associate. While the former position involved the regular duty of a student, the latter position comprised the entire role of an instructor. In fact, it was because of my distinguished performance as a Teaching Assistant that I received a prestigious award that provided me with the opportunity of being a Teaching Associate. Consequently, I have correspondingly completed an official certificate in instruction. In my spare time, I am also employed as a mathematics instructor at a local academy.
I can lead many courses in Chemical Engineering. Considering my mathematical expertise, I am especially suitable for the fundamental courses (e.g., Thermal Physics, Transport Phenomena, Reaction Kinetics, Quantum Physics, etc.). Via my scientific experience, I also intend to develop two elective courses (i.e., one about molecular simulations and one about aqueous systems). Importantly, the cognitive sciences find that there is a mismatch between the teaching styles of most instructors and the learning styles of most students, and in all of my classes, I correspondingly intend to combine various pedagogical approaches.

Annual Meeting:

I would be happy of meeting you in person at my poster on Oct. 29 after noon. Besides, you may be interested in the two lectures which I am giving at the annual meeting:
  • My work on “Employing a Multipole Approximation in a Hybrid Fluid via Relative Resolution” can be found at the “Faculty Candidates in CoMSEF I: Biomolecules, Soft Materials, and Algorithms” session, which is on Oct. 30 before noon.
  • My work on “Molecular Simulations of the Force Spectroscopy of a Biomimetic Polymer” can be found at the “Thermodynamics of Biomolecular Folding and Assembly” session, which is on Nov. 1 before noon.