Vivek Shankar Bharadwaj
th
521, 16 St., Apt #6, Golden CO, 80401 | 720-878-5671 | vbharadw@mines.edu
| http://inside.mines.edu/~vbharadw
EDUCATION
PhD Candidate, Chemical Engineering
(Thesis successfully defended)
Colorado School of Mines, Golden, CO
Bachelor of Technology, Chemical Engineering
2010 – 2015
CGPA: 3.65/4.0
2004 – 2008
Sardar Vallabhbhai National Institute of Technology, Surat, India
RESEARCH EXPERIENCE
Graduate Research
Advisors: Prof. Anthony Dean, Prof. C. Mark Maupin
 Utilized computational modelling approaches in fundamental studies aimed at enabling alternative fuel
applications.
Research projects:
o Multi-University Research Initiative (MURI) to classify hydrocarbon structures based on their susceptibility to
biodegradation and model enzymatic reactions involved in anaerobic hydrocarbon metabolism.
o Atomistic simulations of component fatty acid methyl esters in biodiesel to improve its cold flow properties.
o Characterizing glucose and cellobiose solvation in imidazolium based ionic liquids.
o Evaluating the impact of active site protonation state(s) in the enzymatic breakdown of cellulose.
o Acetylcholine and α-conotoxin binding to neuronal nicotinic acetylcholine receptors.
Undergraduate Research
 Studied liquid emulsion membranes and their applications in the separation of aniline from industrial effluents.
Skills & Proficiencies
 Electronic structure and hybrid quantum mechanics/molecular mechanics (QM/MM) calculations. Extensive
experience with intrinsic reaction coordinate and transition state searches, calculation of thermodynamic
parameters, estimation of rate constants using transition state theory, and evaluation of reaction mechanisms.
 Force field modification and development in molecular dynamics (MD) for estimating experimental physical
properties (densities, radial distribution functions, viscosities, thermal properties). Proficient in advanced MD
techniques (e.g. umbrella sampling and metadynamics) for the calculation of potentials of mean forces (PMFs),
the use of docking algorithms, MMPBSA/MMGBSA, and thermodynamic integration for evaluating binding
energetics, and the use of homology modeling techniques to predict protein structures.
 Proficient with high performance, GPU computing in Linux based operating environments.
 Scientific computing packages: AMBER, LAMMPS, Gaussian, MOE, VMD, Modeller, Autodock.
 Computer skills: Fortran, BASH scripting, Matlab, Adobe Photoshop, PERL.
 Basic experience with HPLC, UV-vis and NMR spectroscopy.
PROFESSIONAL EXPERIENCE
Hindustan Petroleum Corporation Limited, Visakh Petroleum Refinery
2008 – 2010
Process Engineer (Sulfur Recovery Units and Emissions Management)
 Maximized load factor, ensured trouble free operation, suggested and implemented technological
improvements to the refinery’s 3 Claus Sulfur Recovery Units (capacity of 65 TPD each).
 Developed carbon footprinting and greenhouse gas emissions inventorisation methodology and applied it to the
existing refinery configuration. Monitored and suggested proactive measures to reduce refinery emissions with
respect to hydrocarbons, SO2, CO, NOx, suspended particulate matter.
 Served as statutory liaison between the petroleum refinery and the state, national pollution control authorities.
Skills & Proficiencies
 Proficient at working with PFDs and P&IDs, process design, troubleshooting & root cause analysis, conducting
Hazop, Hazan studies.
 Comprehensive knowledge of the chemical processes involved in petroleum refining and in-depth knowledge of
the environmental management systems (Emissions, Energy conservation, Liquid Effluent Treatment and
Hazardous waste management) employed in the refining industry. Experience with PRO II and ASPEN softwares.
ACADEMIC EXPERIENCE
Teaching & Mentoring
 Teaching Assistant (Fall 2014): CBEN 698 – Molecular-level Computations and Simulations – Prof. C. Mark
Maupin
o Co-developed course work and Lab assignments.
 Mentored undergraduates on the principles and applications of molecular simulation techniques under the
Research Experience for Undergraduates (REU) program. Specific projects include: MD simulations of Biodiesel
components (2013), Functional mesoporous silica nano-particles for selective sequestration of fatty acids (2013),
Impact of ionic liquids on the structure of cellulose (2014).
 Taught high-school students the fundamentals of computational chemistry and their applications in research as
part of the group’s outreach activities (summer 2013 & 2014).
 Teaching Assistant (Fall 2010): DCGN210A - Introduction to Thermodynamics – Prof. Charles Vestal.
PUBLICATIONS
[1]. Bharadwaj, V. S.; Eagan, N.; Wang, N.; Liberatore, M.W.; Maupin, C.M.; Molecular Simulations of Fatty Acid
Methyl Esters and Representative Biodiesel Mixtures. ChemPhysChem (2015), In Press, DOI:
10.1002/cphc.201500453.
[2]. Schutt, T.; Bharadwaj, V. S.; Maupin, C.M.; The impact active site protonation on substrate ring conformation in
Melanocarpus albomyces Cellobiohydrolase Cel7B. Physical Chemistry Chemical Physics (2015), 17, 16947-16958.
[3]. Bharadwaj, V. S.; Schutt, T.; Ashurst, T.; Maupin, C.M.; Elucidating the conformational energetics of glucose and
cellobiose in ionic liquids. Physical Chemistry Chemical Physics (2015), 17, 10668-10678.
[4]. Bharadwaj, V. S.; Vyas, S.; Villano, S. M.; Maupin, C.M; and Dean, A. M.; Unravelling the impact of hydrocarbon
structure on the fumarate addition mechanism – a gas-phase ab-initio study. Physical Chemistry Chemical
Physics (2015), 17, 4054-4066. (Featured on the Issue Back Cover)
[5]. Sambasivarao, S. V.; Roberts, J.; Bharadwaj, V. S.; Slingsby, J. G.; Rohleder, C.; Mallory, C.; Groome, J. R.;
McDougal, O. M.; Maupin, C. M, Acetylcholine Promotes Binding of α-Conotoxin MII for α3β2 Nicotinic
Acetylcholine Receptors. ChemBioChem (2014), 15 (3), 337-337. (Cover Article)
[6]. Bharadwaj, V. S.; Dean, A. M.; and Maupin, C.M., Insights into the Glycyl Radical Enzyme Active Site of
Benzylsuccinate Synthase: A Computational Study. Journal of the American Chemical Society (2013), 135, 1227912288.
INVITED TALKS AND CONFERENCE PRESENTATIONS
 Bharadwaj, V. S. Enabling Alternative Fuel Applications through Fundamental Computational Studies. (July 2015)
National Renewable Energy Laboratory Golden, CO.
 Bharadwaj, V. S., Schutt, T., Ashurst, T. and Maupin, C.M. How Ionic Liquids Effect Glucose and Cellobiose
Solvation; Insights from Enhanced Sampling Molecular Dynamics Techniques (Spring 2015) 249th ACS National
Meeting Denver, CO.
 Bharadwaj, V. S., Dean, A. M., and Maupin, C.M. Impact of Hydrocarbon Fuel Structure on Anaerobic
Biodegradation via the Fumarate Addition Reaction: An Ab-Initio and Kinetic Modelling Study. (Nov 2014) The
AICHE Annual meeting.
 Bharadwaj, V. S., Dean, A. M., and Maupin, C.M. Computational Insights into Enzymatic Free Radical Chemistry
and its Role in the Bio-degradation of Toluene: The Case of Benzylsuccinate Synthase from Structure to
Mechanisms (Nov 2014) The AICHE Annual meeting.
 Bharadwaj, V. S., Schutt, T., Ashurst, T. and Maupin, C.M. Impact of Ionic Liquids on Cellulose (Summer 2014)
AAAS Pacific Division Annual Meeting, UC Riverside.
 Bharadwaj, V. S., Dean, A. M., and Maupin, C.M. Computational structural elucidation of benzylsuccinate
synthase: A bridge to understanding free-radical chemistry in the anaerobic biodegradation of hydrocarbons,
(Fall 2012) 244th ACS National Meeting Philadelphia.
AWARDS
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Chemical Computing Group (CCG) Research Excellence award at the ACS national meeting (Spring 2015)
NVIDIA Best GPU poster award at the ACS national meeting San Francisco (Fall 2014)
Graduate Student Travel Award – Colorado School of Mines GSG (Summer 2014)
Awarded NSF travel grant to attend the PASI (Pan-American Advanced Studies Institute) workshop on
Molecular-based Multiscale Modeling and Simulation, Montevideo, Uruguay (Sept 2012)
 Selected for a 2 week Management Development Program at the prestigious Indian Institute of Management
(IIM) Ahmedabad, India on behalf of Hindustan Petroleum Corporation Limited (Apr 2010)
LEADERSHIP RESPONSIBILITIES
 Department (ChBE) Representative in the Graduate Student Government at CSM (2014-2015)
 As President (2012-2014) and web-secretary (2011) of Indian Student Association at CSM; developed the
website, managed yearly budgets, conducted multiple events and was involved in fostering public relations.
 Class Representative (2nd year B-Tech Chemical Engg.) to the Student Council for the year 2005-06. Took
initiative to improve student-faculty interactions and served as the Co-Secretary of the Literary and Debating
Committee.
OTHER SKILLS AND INTERESTS
 Languages Known: English, Tamil, Hindi, Gujarati & Telugu
 Enjoy endurance training and long distance running. Accomplishments include:
50KM (2 Races) PB: 5:47:22 | Marathon (4 Races) PB: 4:15:38 |Half-marathon (2 Races) PB: 1:53:22
 Travelling, cooking, conducting social events, keeping up with sports and current affairs.
REFERENCES

Prof. Anthony M. Dean
Sr. Vice-President for
Research and Technology
Transfer
1500 Illinois St.
Colorado School of Mines
Golden, CO 80401
Office: 303-273-3643
amdean@mines.edu

Prof. C. Mark Maupin
449 Alderson Hall
Chemical and Biological
Engineering
Colorado School of Mines
Golden, CO 80401
Office: 303-273-3197
cmmaupin@mines.edu

Prof. Shubham Vyas
106 Coolbaugh Hall
Chemistry and Geochemistry
Colorado School of Mines
Golden, CO 80401
Office: 303-273-3632
svyas@mines.edu