Based on my research experience and my undergraduate studies, my research interests are:
Recent advances in rare event simulations have yet to bear fruit in biological sciences. Although rare events are exempliﬁed by protein folding, newer simulation methodologies (eg. FRESHS) have not been implemented or analyzed. Much of the existing literature uses various forms of REMD (replica exchange molecular dynamics) and metadynamics, which mask certain system features.
The analysis of (relatively) long timescale dynamics, such as, those found in biological systems are a natural outgrowth of my work on soft matter and molecular dynamics.
Also of interest to me are the cognitive aspects of the human brain and the use of stochastic probabilities to simulate neural activity. There have only been theoretical descriptions of such work till date.
(Quantum Studies & Simulations)
Quantum mechanical analysis of several highly energetic systems will also be beneﬁcial for simulation theories. Although simulations are classical, coarse-graining allows for accurate theories to arise from classical systems.
Speciﬁcally, the response of computationally coarse-grained bacteria to light sources is of interest to me on longer timescales (e.g., rare events, structural changes). Such a model could also be gainfully compared to a multilevel quantum heat engine .
Simulations aside, big data analysis is also of interest to me and I believe that there are many insights to be gained by reformulation and re-analysis of older data sets, especially when these are combined with machine learning and newer statistical testing methods.