Computational Chemistry and Simulation
Aniruddha Chowdhury · Ruston, Louisiana · Email to be added
From molecular interactions to engineering understanding.
I use molecular dynamics to investigate polymer-asphalt blends, bio-rejuvenators and asphaltene aggregation. My LAMMPS and MARTINI 3 research is complemented by industrial Aspen Plus modeling, linking molecular-scale questions with material and energy balance thinking.
Core competencies
Applied: professional use · Research: doctoral or research use · Developing: current study
LAMMPS molecular dynamicsResearch
MARTINI 3 modelingResearch
Polymer-asphalt systemsResearch
Asphaltene aggregationResearch
Aspen Plus modelingApplied
Material & energy balancesApplied
Relevant experience & projects
Sustainable Polymer–Asphalt Systems
Ph.D. researchLouisiana Tech University · doctoral research
- Used LAMMPS and MARTINI 3 to investigate polymer-asphalt and bio-rejuvenator systems through molecular dynamics.
- Studied asphaltene aggregation in complex blends, addressing molecular behavior within sustainable asphalt research.
Process Engineer
2018–2020Hydrogen peroxide plant
- Built Aspen Plus material and energy balance models for industrial process engineering.
- Connected DCS monitoring and VDU/SRU optimization with operating improvement; raised distillation Cpk from approximately 1.14 to 1.4, earning a Kaizen Award.
Frontal Polymerization of Geopolymer Concrete
Research experienceMaterials research
- Studied frontal polymerization of geopolymer concrete, complementing molecular simulation with a broader materials research perspective.
Let’s talk about your team.
Open to relocation · Computational Chemistry and Simulation