This document is a resume for Arjun Saha, a computational chemist completing his PhD in May 2016. It summarizes his qualifications, including 7 peer-reviewed publications as first author and expertise in multiple programming languages. It also lists his education, experience as a summer intern and graduate research assistant, awards, skills, and publications.
Quinn Simmons is seeking a PhD position in an interdisciplinary research lab combining physics and chemistry. He holds a BA in Physics from UC Berkeley with a 3.69 GPA and an AS in Biology from Diablo Valley College graduating with honors. He has experience in experimental physics and chemistry labs, designing circuits, working with lasers and optics equipment, and publishing research on atom interferometry constraints on dark energy. His skills include programming, Linux, LaTeX, and lab equipment operation.
This document outlines the compulsory courses for chemistry degrees at the University of Peradeniya in Sri Lanka. It lists the core courses required for both the general and special degrees in chemistry. It also provides details on 100-level introductory courses covering topics like principles of chemistry, qualitative and quantitative analysis labs, and organic functional group analysis. Recommended textbooks are provided for further reference on course topics like physical chemistry, organic chemistry, and laboratory techniques.
Lei Wang has extensive experience in computational modeling and simulation. He holds a Ph.D in chemical physics from Marquette University and conducted post-doc research at the University of South Carolina on quantum trajectory dynamics simulations. His research focuses on developing mathematical models and computer codes to simulate physically and chemically complex problems using high-performance computing resources. He has strong programming skills in Fortran, Python, C and MPI and is proficient in quantum chemistry software.
Triphenylamine-Fullerene Dyads as Photoactive Layers in PhotovoltLuis Gardea
This document summarizes research on a new donor-acceptor dyad synthesized for use in organic photovoltaic cells. The dyad connects one triphenylamine (TPA) donor molecule to two fullerene (C60) acceptor molecules via a linker. It was prepared through a two-step synthesis process, first creating a Glycine-TPA compound then reacting it with two fullerenes. Characterization with MALDI mass spectrometry and NMR spectroscopy confirmed the compound's structure. Testing of the synthesized dyad in OPV devices is planned for the future to evaluate its potential as an active photovoltaic layer.
Dr. Robert Craig is currently an organic chemistry lecturer and lab instructor at Wagner College. He has over 20 years of experience teaching chemistry at the community college and university level. His areas of expertise include organic chemistry, analytical chemistry, NMR, chromatography, and spectroscopy. He holds a PhD in Analytical/Physical Chemistry and Education from the CUNY Graduate Center and is a member of the scientific honor society Sigma Xi.
Sarah Hammock is a chemical engineering student at Texas A&M University pursuing a Bachelor of Science degree. She has a 3.898 GPA and is currently taking courses in thermodynamics, numerical analysis, physical chemistry, and fluid operations. Her past research experience includes investigating the resistive switching properties of HfO2 thin films and new methods to recover carboxylic acids from an aqueous fermentation broth. She has strong skills in research, data analysis using Excel and MATLAB, experimental planning, and communication. She has received over $58,000 in scholarships and has been involved in various extracurricular and service activities.
This document outlines a general chemistry course for the first semester of the 2013/2014 academic year. The 3 credit, compulsory course will meet for 3 lectures per week and introduce students to important chemical principles and calculations. By the end of the course students should be able to describe and apply concepts of atomic structure, the periodic table, chemical bonding, stoichiometry, gases, solutions and thermochemistry. Assessment will include two exams, participation, and a final exam worth 50% of the grade. The textbook is Chemistry by Raymond Chang and Kenneth Goldsby.
ApnaComplex is a mobile and web-based platform for apartment management and accounting. It provides a private and secure portal and mobile app for housing societies to manage maintenance, accounting, payments, and community collaboration in one integrated system. Key features include society billing and accounting tools, facility management tools, a helpdesk for resident requests, payment gateways, and bio-metric attendance tracking for staff. It aims to simplify apartment management and increase transparency for housing societies.
Quinn Simmons is seeking a PhD position in an interdisciplinary research lab combining physics and chemistry. He holds a BA in Physics from UC Berkeley with a 3.69 GPA and an AS in Biology from Diablo Valley College graduating with honors. He has experience in experimental physics and chemistry labs, designing circuits, working with lasers and optics equipment, and publishing research on atom interferometry constraints on dark energy. His skills include programming, Linux, LaTeX, and lab equipment operation.
This document outlines the compulsory courses for chemistry degrees at the University of Peradeniya in Sri Lanka. It lists the core courses required for both the general and special degrees in chemistry. It also provides details on 100-level introductory courses covering topics like principles of chemistry, qualitative and quantitative analysis labs, and organic functional group analysis. Recommended textbooks are provided for further reference on course topics like physical chemistry, organic chemistry, and laboratory techniques.
Lei Wang has extensive experience in computational modeling and simulation. He holds a Ph.D in chemical physics from Marquette University and conducted post-doc research at the University of South Carolina on quantum trajectory dynamics simulations. His research focuses on developing mathematical models and computer codes to simulate physically and chemically complex problems using high-performance computing resources. He has strong programming skills in Fortran, Python, C and MPI and is proficient in quantum chemistry software.
Triphenylamine-Fullerene Dyads as Photoactive Layers in PhotovoltLuis Gardea
This document summarizes research on a new donor-acceptor dyad synthesized for use in organic photovoltaic cells. The dyad connects one triphenylamine (TPA) donor molecule to two fullerene (C60) acceptor molecules via a linker. It was prepared through a two-step synthesis process, first creating a Glycine-TPA compound then reacting it with two fullerenes. Characterization with MALDI mass spectrometry and NMR spectroscopy confirmed the compound's structure. Testing of the synthesized dyad in OPV devices is planned for the future to evaluate its potential as an active photovoltaic layer.
Dr. Robert Craig is currently an organic chemistry lecturer and lab instructor at Wagner College. He has over 20 years of experience teaching chemistry at the community college and university level. His areas of expertise include organic chemistry, analytical chemistry, NMR, chromatography, and spectroscopy. He holds a PhD in Analytical/Physical Chemistry and Education from the CUNY Graduate Center and is a member of the scientific honor society Sigma Xi.
Sarah Hammock is a chemical engineering student at Texas A&M University pursuing a Bachelor of Science degree. She has a 3.898 GPA and is currently taking courses in thermodynamics, numerical analysis, physical chemistry, and fluid operations. Her past research experience includes investigating the resistive switching properties of HfO2 thin films and new methods to recover carboxylic acids from an aqueous fermentation broth. She has strong skills in research, data analysis using Excel and MATLAB, experimental planning, and communication. She has received over $58,000 in scholarships and has been involved in various extracurricular and service activities.
This document outlines a general chemistry course for the first semester of the 2013/2014 academic year. The 3 credit, compulsory course will meet for 3 lectures per week and introduce students to important chemical principles and calculations. By the end of the course students should be able to describe and apply concepts of atomic structure, the periodic table, chemical bonding, stoichiometry, gases, solutions and thermochemistry. Assessment will include two exams, participation, and a final exam worth 50% of the grade. The textbook is Chemistry by Raymond Chang and Kenneth Goldsby.
ApnaComplex is a mobile and web-based platform for apartment management and accounting. It provides a private and secure portal and mobile app for housing societies to manage maintenance, accounting, payments, and community collaboration in one integrated system. Key features include society billing and accounting tools, facility management tools, a helpdesk for resident requests, payment gateways, and bio-metric attendance tracking for staff. It aims to simplify apartment management and increase transparency for housing societies.
This document is a CV for Aram Davtyan, who received his Ph.D in Chemistry from the University of Maryland in 2013. He is currently a postdoctoral research scholar in the Department of Chemistry at the University of Chicago, where he develops coarse-grained and mesoscopic simulation methods. His research focuses on multi-scale molecular modeling of protein folding, protein-protein interactions, and membrane remodeling. He has over 10 publications in peer-reviewed journals and has presented his work at several conferences.
This curriculum vitae summarizes the qualifications and experience of Dr. Tapta Kanchan Roy. Dr. Roy is currently an Assistant Professor in the Department of Chemistry & Chemical Sciences at Central University of Jammu. She received her PhD in Chemistry from the University of Hyderabad in 2010. Her research focuses on theoretical and computational chemistry, including the development of computational methods for infrared and Raman spectroscopy of peptides and proteins. She has over 15 publications in peer-reviewed journals and has experience collaborating with researchers in Israel, Switzerland, and India.
1. The document provides a curriculum vitae for R Navanietha Krishnaraj outlining their academic and professional qualifications and experiences. It details their education including a Ph.D in chemical engineering and areas of research including biosensors, bioelectronics, and computational biology.
2. Their experience includes teaching and research positions at various academic institutions and research centers. They have published extensively with over 18 publications in peer-reviewed journals.
3. They have received several awards and honors for their research and work developing microbial fuel cells and investigating electron transfer mechanisms of microorganisms.
Dr. Shubhasis Haldar is a postdoctoral researcher at Columbia University. He solved the mechanism of GroEL-GroES chaperonin with Prof. Hartl and has expertise in biochemistry, biophysics, and protein folding. His research achievements include elucidating the chaperonin-assisted protein folding pathway at the single molecule level. He has received several fellowships and awards for his work.
This document is a resume for Ryan P. Kopreski summarizing his career and qualifications. It outlines his objective to join an energized research team, and highlights his industry experience including new product development and computational chemistry implementation. His research experience includes organic synthesis, materials characterization, and device fabrication. He has a PhD in physical organic chemistry from UNH and is currently a research chemist at Cytec Industries focusing on organic synthesis and reagent testing for industrial minerals applications.
This document is a resume for Lei Wang that summarizes their education and experience. Wang has a Master of Science in Computational Finance and Risk Management expected in December 2016 from the University of Washington. They have a Ph.D in Chemical Physics from Marquette University and a Master of Science and Bachelor of Science in physics from Dalian University of Technology in China. Their experience includes financial modeling, programming, computational finance coursework, postdoctoral research, and publications in physics and chemistry journals.
This document is a resume for Lei Wang that summarizes their education and experience. Wang has a Master of Science in Computational Finance and Risk Management expected in December 2016 from the University of Washington. They have a Ph.D in Chemical Physics from Marquette University and a Master of Science and Bachelor of Science in physics from Dalian University of Technology in China. Their experience includes financial modeling, programming, computational finance coursework, postdoctoral research, and publications in physics and chemistry journals.
This document summarizes a presentation on using quantum chemical parameters and graph theoretical indices in a QSAR study of quorum sensing inhibitors. It discusses molecular docking techniques to characterize ligand-protein binding and generate training data of inhibitor compounds. QSAR models were developed using topological and quantum chemical descriptors to correlate inhibitor structure to biological activity. The models accurately predicted activity for test compounds. The techniques showed potential for antimicrobial drug discovery by virtually screening compounds and optimizing hits through molecular dynamics simulations and property predictions.
This document summarizes a presentation on using quantum chemical parameters and graph theoretical indices in a QSAR study of quorum sensing inhibitors. It discusses molecular docking techniques to characterize ligand-protein binding and generate training data of inhibitor compounds. QSAR models were developed using topological and quantum chemical descriptors to correlate inhibitor structure to biological activity. The models accurately predicted activity for test compounds. The techniques showed potential for antimicrobial drug discovery by virtually screening compounds and optimizing hits through molecular dynamics simulations and property predictions.
This document provides biographical and professional details about Katie R. Hurley in 3 sections: Education, Experience, and Publications. It summarizes that Katie is a PhD candidate in Chemistry at the University of Minnesota, where she has designed multifunctional nanoparticles for biomedical applications. She has 12 peer-reviewed publications, filed a provisional patent, and mentored undergraduate researchers. Katie has also held leadership roles in laboratory safety.
The document is a resume for Tamanna Khandaker applying for an internship with the Metropolitan Water District. It summarizes her education, including a Bachelor of Science in Chemical Engineering from California State University, Long Beach expected in December 2017. It also outlines her relevant experience, such as working as an undergraduate research assistant and a science tutor. Her skills include laboratory techniques and software proficiency. She has received academic honors and scholarships.
This document is Li Ren's resume. It summarizes his education, including a Ph.D. in Chemistry from UMass Lowell and degrees from South China University of Technology and Sichuan University in China. It also outlines his research experience, including internships at ExxonMobil and projects on polymer synthesis and characterization. His skills include various chemistry, characterization, and processing techniques. He has multiple publications and presentations on polymer materials.
This document is the curriculum vitae of Dr. K. Hari Nagamaddaiah. It provides details about his personal and educational background, research experience, publications, conference participation, teaching experience, and references. Specifically, it notes that he received his Ph.D. in 2015 from Sri Krishnadevaraya University. It also lists his 11 research publications in national and international journals and his participation in 15 national seminars and conferences where he presented papers.
Anuj Thakur has a Ph.D. in chemistry from the University of Delhi. He currently works as a research associate at Mankind Pharma designing synthetic routes for active pharmaceutical ingredients. His doctoral thesis focused on designing novel molecular hybrids as therapeutic agents. He has published several papers on designing anti-cancer, anti-malarial, and anti-Parkinson compounds and has attended numerous conferences presenting his research.
Ali Amiri is a PhD candidate in chemical engineering at New Mexico State University seeking employment as a data scientist. He has extensive experience in research and data analysis, including developing statistical models for water desalination systems. His skills include programming languages like R and SAS, and he has received several honors such as NSF funding and leadership positions in student organizations.
Kendra Leahy is a PhD candidate in chemistry at the University of Cincinnati. Her research focuses on green chemistry techniques using high-speed ball milling. She has received several honors and awards for her research and teaching, including an NSF scholarship. Leahy has extensive teaching experience as an instructor and teaching assistant for organic chemistry.
Lane W. Manning has expertise in spectroscopy characterization experiments involving UV/Vis, photoluminescence, and dichroism techniques. He holds a Ph.D. in Materials Science from the University of Vermont where he studied excitonic states in organic semiconductors. His professional experience includes time-resolved spectroscopy measurements and thin film fabrication. He has served in leadership roles such as Graduate Student Senate President and has published several peer-reviewed articles.
Prathit Chatterjee is a Ph.D. candidate at CSIR-National Chemical Laboratory in Pune, India, studying physical chemistry. He received his M.Sc. from the University of Delhi and B.Sc. from the University of Calcutta. His research focuses on molecular dynamics simulations examining the structural dynamics of proteins like Yfh1 and α-synuclein. He has published 4 papers and has 3 manuscripts under preparation. He has presented his research at several conferences in India and received the Best Poster Award in 2012. His advisors include Dr. Neelanjana Sengupta and Dr. Sayan Bagchi at CSIR-National Chemical Laboratory.
Jamie N. Kulp has extensive education and experience in chemistry. She received a Ph.D. in Chemistry from UC Berkeley where she researched plasmonic nanoparticles for biosensing applications. She has taught chemistry at several colleges and universities. Her skills include nanoparticle synthesis, surface chemistry, instrumentation, molecular biology techniques, and computer programs for data analysis.
The document is a resume for Everett C. Hall, III who is pursuing an M.S. in Chemical Biology at the University of Michigan with an anticipated graduation date of April 2016. It outlines his education, teaching experience as a graduate student instructor and lead faculty, research experience, work experience including positions in robotics, maintenance, engineering, and more. It also lists his skills, coursework, and software proficiency.
This document is a CV for Aram Davtyan, who received his Ph.D in Chemistry from the University of Maryland in 2013. He is currently a postdoctoral research scholar in the Department of Chemistry at the University of Chicago, where he develops coarse-grained and mesoscopic simulation methods. His research focuses on multi-scale molecular modeling of protein folding, protein-protein interactions, and membrane remodeling. He has over 10 publications in peer-reviewed journals and has presented his work at several conferences.
This curriculum vitae summarizes the qualifications and experience of Dr. Tapta Kanchan Roy. Dr. Roy is currently an Assistant Professor in the Department of Chemistry & Chemical Sciences at Central University of Jammu. She received her PhD in Chemistry from the University of Hyderabad in 2010. Her research focuses on theoretical and computational chemistry, including the development of computational methods for infrared and Raman spectroscopy of peptides and proteins. She has over 15 publications in peer-reviewed journals and has experience collaborating with researchers in Israel, Switzerland, and India.
1. The document provides a curriculum vitae for R Navanietha Krishnaraj outlining their academic and professional qualifications and experiences. It details their education including a Ph.D in chemical engineering and areas of research including biosensors, bioelectronics, and computational biology.
2. Their experience includes teaching and research positions at various academic institutions and research centers. They have published extensively with over 18 publications in peer-reviewed journals.
3. They have received several awards and honors for their research and work developing microbial fuel cells and investigating electron transfer mechanisms of microorganisms.
Dr. Shubhasis Haldar is a postdoctoral researcher at Columbia University. He solved the mechanism of GroEL-GroES chaperonin with Prof. Hartl and has expertise in biochemistry, biophysics, and protein folding. His research achievements include elucidating the chaperonin-assisted protein folding pathway at the single molecule level. He has received several fellowships and awards for his work.
This document is a resume for Ryan P. Kopreski summarizing his career and qualifications. It outlines his objective to join an energized research team, and highlights his industry experience including new product development and computational chemistry implementation. His research experience includes organic synthesis, materials characterization, and device fabrication. He has a PhD in physical organic chemistry from UNH and is currently a research chemist at Cytec Industries focusing on organic synthesis and reagent testing for industrial minerals applications.
This document is a resume for Lei Wang that summarizes their education and experience. Wang has a Master of Science in Computational Finance and Risk Management expected in December 2016 from the University of Washington. They have a Ph.D in Chemical Physics from Marquette University and a Master of Science and Bachelor of Science in physics from Dalian University of Technology in China. Their experience includes financial modeling, programming, computational finance coursework, postdoctoral research, and publications in physics and chemistry journals.
This document is a resume for Lei Wang that summarizes their education and experience. Wang has a Master of Science in Computational Finance and Risk Management expected in December 2016 from the University of Washington. They have a Ph.D in Chemical Physics from Marquette University and a Master of Science and Bachelor of Science in physics from Dalian University of Technology in China. Their experience includes financial modeling, programming, computational finance coursework, postdoctoral research, and publications in physics and chemistry journals.
This document summarizes a presentation on using quantum chemical parameters and graph theoretical indices in a QSAR study of quorum sensing inhibitors. It discusses molecular docking techniques to characterize ligand-protein binding and generate training data of inhibitor compounds. QSAR models were developed using topological and quantum chemical descriptors to correlate inhibitor structure to biological activity. The models accurately predicted activity for test compounds. The techniques showed potential for antimicrobial drug discovery by virtually screening compounds and optimizing hits through molecular dynamics simulations and property predictions.
This document summarizes a presentation on using quantum chemical parameters and graph theoretical indices in a QSAR study of quorum sensing inhibitors. It discusses molecular docking techniques to characterize ligand-protein binding and generate training data of inhibitor compounds. QSAR models were developed using topological and quantum chemical descriptors to correlate inhibitor structure to biological activity. The models accurately predicted activity for test compounds. The techniques showed potential for antimicrobial drug discovery by virtually screening compounds and optimizing hits through molecular dynamics simulations and property predictions.
This document provides biographical and professional details about Katie R. Hurley in 3 sections: Education, Experience, and Publications. It summarizes that Katie is a PhD candidate in Chemistry at the University of Minnesota, where she has designed multifunctional nanoparticles for biomedical applications. She has 12 peer-reviewed publications, filed a provisional patent, and mentored undergraduate researchers. Katie has also held leadership roles in laboratory safety.
The document is a resume for Tamanna Khandaker applying for an internship with the Metropolitan Water District. It summarizes her education, including a Bachelor of Science in Chemical Engineering from California State University, Long Beach expected in December 2017. It also outlines her relevant experience, such as working as an undergraduate research assistant and a science tutor. Her skills include laboratory techniques and software proficiency. She has received academic honors and scholarships.
This document is Li Ren's resume. It summarizes his education, including a Ph.D. in Chemistry from UMass Lowell and degrees from South China University of Technology and Sichuan University in China. It also outlines his research experience, including internships at ExxonMobil and projects on polymer synthesis and characterization. His skills include various chemistry, characterization, and processing techniques. He has multiple publications and presentations on polymer materials.
This document is the curriculum vitae of Dr. K. Hari Nagamaddaiah. It provides details about his personal and educational background, research experience, publications, conference participation, teaching experience, and references. Specifically, it notes that he received his Ph.D. in 2015 from Sri Krishnadevaraya University. It also lists his 11 research publications in national and international journals and his participation in 15 national seminars and conferences where he presented papers.
Anuj Thakur has a Ph.D. in chemistry from the University of Delhi. He currently works as a research associate at Mankind Pharma designing synthetic routes for active pharmaceutical ingredients. His doctoral thesis focused on designing novel molecular hybrids as therapeutic agents. He has published several papers on designing anti-cancer, anti-malarial, and anti-Parkinson compounds and has attended numerous conferences presenting his research.
Ali Amiri is a PhD candidate in chemical engineering at New Mexico State University seeking employment as a data scientist. He has extensive experience in research and data analysis, including developing statistical models for water desalination systems. His skills include programming languages like R and SAS, and he has received several honors such as NSF funding and leadership positions in student organizations.
Kendra Leahy is a PhD candidate in chemistry at the University of Cincinnati. Her research focuses on green chemistry techniques using high-speed ball milling. She has received several honors and awards for her research and teaching, including an NSF scholarship. Leahy has extensive teaching experience as an instructor and teaching assistant for organic chemistry.
Lane W. Manning has expertise in spectroscopy characterization experiments involving UV/Vis, photoluminescence, and dichroism techniques. He holds a Ph.D. in Materials Science from the University of Vermont where he studied excitonic states in organic semiconductors. His professional experience includes time-resolved spectroscopy measurements and thin film fabrication. He has served in leadership roles such as Graduate Student Senate President and has published several peer-reviewed articles.
Prathit Chatterjee is a Ph.D. candidate at CSIR-National Chemical Laboratory in Pune, India, studying physical chemistry. He received his M.Sc. from the University of Delhi and B.Sc. from the University of Calcutta. His research focuses on molecular dynamics simulations examining the structural dynamics of proteins like Yfh1 and α-synuclein. He has published 4 papers and has 3 manuscripts under preparation. He has presented his research at several conferences in India and received the Best Poster Award in 2012. His advisors include Dr. Neelanjana Sengupta and Dr. Sayan Bagchi at CSIR-National Chemical Laboratory.
Jamie N. Kulp has extensive education and experience in chemistry. She received a Ph.D. in Chemistry from UC Berkeley where she researched plasmonic nanoparticles for biosensing applications. She has taught chemistry at several colleges and universities. Her skills include nanoparticle synthesis, surface chemistry, instrumentation, molecular biology techniques, and computer programs for data analysis.
The document is a resume for Everett C. Hall, III who is pursuing an M.S. in Chemical Biology at the University of Michigan with an anticipated graduation date of April 2016. It outlines his education, teaching experience as a graduate student instructor and lead faculty, research experience, work experience including positions in robotics, maintenance, engineering, and more. It also lists his skills, coursework, and software proficiency.
1. Arjun Saha
1700 N Walnut St, Bloomington, IN, 47404
812-345-2115 asaha@indiana.edu
QUALFICIATIONS SUMMARY
A computational chemist with a research emphasis on developing fragment-based quantum mechanical methods
for large biomolecules
Author on 7 peer-reviewed scientific publications, including 5 as first author, with 4 more in to be submitted
Expertise in multiple programming languages
PhD completion expected in May, 2016 under Prof. Krishnan Raghavachari
EDUCATION
Ph.D. Chemistry, Indiana University Bloomington, May 2016
Major: Computational & Physical Chemistry (GPA: 3.7)
Minor: Materials Chemistry
Masters of Science, Chemistry, North Bengal University, India, August 2008
Physical, Organic and Inorganic Chemistry (Grade: A+)
Bachelors of Science, Chemistry, North Bengal University, India, August 2006
Major: Chemistry, Minor: Mathematics and Physics (Grade: A)
EXPERIENCE
Summer R&D Intern at Eli Lilly, Lilly Biotechnology Center, San Diego, Summer 2015
Primarily engaged in developing methodology for calculating chemical shift perturbations to help arrive at
protein-NMR derived binding mode determinations.
Investigated the unambiguous impact of substituent functionalization on tautomeric preferences in small drug
molecules.
Wrote Perl scripts to facilitate quantum mechanical conformational & dihedral analyses of small drug molecules
on a high performance cluster.
Gained exposure to screening and evaluation of conformations and energetics of potential drug candidates.
Graduate Research Assistant, Chemistry Department, Indiana University, Bloomington, 2012 ̶ Present
Contributed in developing fragment-based quantum chemical models for large biomolecular and non-bonded
cluster systems.
Gained experience in applying protocols for achieving tractable scaling for high accuracy ab initio methods.
Contributed in developing and applying multilayer fragmentation approaches with multiple levels of theory using
a generalized hybrid energy expression to predict accurate energies of large proteins.
Design and characterization of catalysts relevant to alternative energy resources, by investigating structure-
reactivity relationship using Density Functional Theory in a close collaboration with an experimental research
group.
Involved in supervising several undergraduate and graduate researchers in solving problems related to software,
programming languages and scientific data analysis.
2. Associate Instructor, Chemistry Department, Indiana University, Bloomington, August 2011 ̶ May 2012
Taught both Undergraduate and graduate chemistry classes and laboratories. Took part in every aspect of teaching
and discussion.
Research Associate, Indian Institute of Technology (IIT) Bombay, India, 2009 ̶ 2011
Designed and investigated the magnetic interactions in molecular systems (using QM calculations) relevant to
optical information processing devices.
Involved in extensive use of TDDFT (Time-dependent Density Functional Theory) techniques to characterize
excited states of several ferro-magnetic and anti-ferromagnetic materials.
Involved in teaching undergraduate and graduate chemistry courses.
AWARDS
Robert & Marjorie Mann Fellowship, Indiana University, August 2015.
Gill Velocity Fellowship, The Johnson Center of Entrepreneurship and Innovation, Indiana University, March 2015.
246th
ACS (American Chemical Society) Travel Award, Indiana University, September 2014.
CSIR National Eligibility Test for Junior Research Fellowship, India, September 2010.
GATE (Graduate Aptitude Test in Engineering) Fellowship, India, February 2009.
SELECTED SKILLS & TECHNIQUES
Scientific: Computational chemistry software (Gaussian, Molpro, MOE), Quantum mechanics, Density functional theory,
Fragment-based Quantum chemistry, Molecular dynamics simulation, Catalysis, Reaction mechanisms, Data handling,
Structure based drug design, Docking, Openeye, Physical organic chemistry.
Computer Skills: PERL, Python, FORTRAN 95, C++, MATLAB, Ruby on Rails, UNIX/LINUX environment, Git.
Miscellaneous: Web Development, Microsoft office, Problem solving, Analytical, leadership, Collaboration, Team work.
PUBLICATIONS
11. Arjun Saha and Krishnan Raghavachari, “Electrostatically Embedded Molecules-In-Molecules (EE-MIM): Effect of
charge embedding on fragmentation strategies to investigate weak interactions in proteins.” Journal of Chemical Theory
and Computation (In preparation).
10. Arjun Saha, Corrine Kumar and Krishnan Raghavachari, “Investigation of Active Sites in Molybdenum Sulfide (MoS2)
Surface using Density Functional Theory Calculations” Journal of Chemical Physics (To be submitted).
9. Manisha Ray, Arjun Saha, Krishnan Raghavachari and Caroline C. Jarrold “Hydrogen Evolution from Water using
Molybdenum Oxide Clusters: DFT Modeling of a Complete Catalytic Cycle” Journal of American Chemical Society
(To be submitted).
8. Arjun Saha and Krishnan Raghavachari, “Grid-Adapted-Manybody-Analysis (GAMA): A Black-box Fragment-based
Quantum Chemistry Method for Calculation of Large Molecular Systems” Journal of Chemical Theory and
Computation (To be submitted).
3. 7. Arjun Saha and Krishnan Raghavachari, “Analysis of Different Fragmentation Strategies on Variety of Large Peptides:
Implementation of Low Level of Theory in Fragment-based Methods can be a Crucial Factor” Journal of Chemical
Theory and Computation, 2015, 11, 2012.
6. Krishnan Raghavachari and Arjun Saha, “Accurate Composite Quantum Chemical Models for Large Molecules”
Chemical Reviews, 2015, 115, 5643.
5. Manisha Ray, Sarah Waller, Arjun Saha, Krishnan Raghavachari and Caroline Jarrold, “Comparative Study of Water
Reactivity of Mo2Oy
‾
and W2Oy
‾
Clusters: A Combined Experimental and Theoretical Investigation”, Journal of
Chemical Physics, 2014, 141, 104310.
4. Arjun Saha and Krishnan Raghavachari, “Electronic Structures and Water Reactivity of Mixed Metal Sulfide Clusters”
Journal of Chemical Physics, 2014, 141, 074035.
3. Arjun Saha and Krishnan Raghavachari, “Dimers of Dimers (DOD): A New Fragment-Based Method Applied to Large
Water Clusters” Journal of Chemical Theory and computation, 2013, 10, 58.
2. Arjun Saha and Krishnan Raghavachari, “Hydrogen Evolution from Water through Metal Sulfide Reactions” Journal
of Chemical Physics, 2013, 139, 204301.
1. Arjun Saha, Iqbal A. Latif and Sambhu N. Datta, “Photoswitching Magnetic Crossover in Organic Molecular Systems”
Journal of Physical Chemistry A, 2011, 115, 1371.
PRESENTATIONS
Calculated Chemical Shift Perturbations (CSP’s) for NMR-derived Binding Poses: Integrating Computational Efforts
with Experimental Results in Drug Discovery, Internship presentation at Lilly Biotechnology Center, San Diego, August
2015.
The Velocity Conference, March 2015, Silicon Valley, San Francisco, CA, March 2015.
Fragment-based Quantum Chemistry and Catalysis of Transition Metal Oxide/Sulfide Clusters, PhD candidacy
presentation, Department of Chemistry, Indiana University, Bloomington, October 2013.
Development of Accurate Quantum Chemical Methods for Large Molecules, 246th
American Chemical Society
Meeting, Indianapolis, IN, September 2013.
Quantum Chemistry for large molecular systems, 246th
American Chemical Society Meeting, Prestigious Scimix Poster
Presentations, Indianapolis, IN, September 2013.
Computational and Theoretical Investigations of Electronic Structures and Reactivity of Small Metal Sulfide Clusters
and their Application to Surface Chemistry, Midwest Theoretical Chemistry Conference, University of Illinois, Urbana-
Champaign, IL, June 2013.
Quantum Dots: An Emerging Class of Nanomaterials, Department of Chemistry, IIT Bombay, India, August 2010.
Chemical Graph Theory, MSc final project presentation, Department of Chemistry, North Bengal University, India,
June 2008.