The srv from sivadasetty

srv's Introduction

👋🏽 I'm a postdoc in Ferguson lab, PME @UChicago.

🔭 Active works

implementation of collective variables in PySAGES.
exploring role of water in many-body systems using machine learning.
development and application of latent space simulators for complex biomolecular systems.

✔️ Completed works

development and application of a novel machine learning (ML) based solution for tackling a grand challenge in water. Featured on TACC magazine -https://texascale.org/2022/powering-discoveries/ai-and-real-solutions-frontera/
implementation of metadynamics in SSAGES and PySAGES. Link to paper: https://doi.org/10.48550/arXiv.2301.04835
implementation of artificial neural network based CV in PLUMED for direct enhanced sampling along system and environmental variables (PINES). Link to paper: https://doi.org/10.48550/arXiv.2308.08680
active learning of polarizable nanoparticle phase diagrams for the guided design of triggerable self-assembling superlattices. Link to published paper — featured in MSDE recent HOT 🔥 articles collection.

🕰️ Previously

Graduate research at Sarupria group, ChBE @Clemson.
- Dissertation (PhD, 2019): Towards computer aided engineering of proteins and protein-surface complexes.
- Thesis (MS, 2015): Understanding molecular interactions between proteins and carbon nanomaterials.
Software developer in mscripts team at Exeter India @Banglore.

♾️ Interests

Data-driven methods & applications.
Statistical mechanics (equilibrium), Enhanced sampling methods, Probability, Nonlinear dynamics.
Modeling, numerical methods, computational design.
Deep learning, Coding, Algorithms, Network theory.

Happy to