Indian Association for the Cultivation of Science
» Structure and Dynamics: Spectroscopy and Scattering (SDSS - 2023) » Admission to Integrated Bachelor's-Master's Program in Science and Master's/Integrated Master's-Ph.D. Program in Science - 2023NEW

Name : Avisek Das

Deptartment : School of Chemical Sciences
Designation : Assistant Professor
Contact : +91 33 2473 4971 (Ext:2136)
Email : mcsad@iacs.res.in
Page Menu
Home
Academic Profile
Group
Publication
Teaching
Open Positions
Honors/Awards
Contact Us



Home

We are a theoretical and computational group interested in understanding structure and dynamics of complex systems using classical statistical mechanics. Our research program has an equal emphasis on development of new simulation methods and application of existing/new methods to important problems in chemistry, molecular biophysics, bioinorganic chemistry and soft matter systems. Primary focus of our group is in the following areas.

  • Theoretical chemistry
    • Development of application of multiscale simulation methods
    • Rare event simulations on complex systems
    • Development and analysis of enhanced sampling methods
  • Molecular biophysics / bioinorganic chemistry
    • Molecular mechanism of cellular copper trafficking
    • Computer simulation of protein-protein interactions
  • Soft matter
    • Peptide self-assembly
    • Self-assembly of hard particles

 




Academic Profile

  • Assistant Professor, School of Chemical Sciences, IACS, Kolkata  (August 2019 - present)
  • Faculty Fellow, Center for Mathematical, Computational and Data Science and School of Mathematical and Computational Sciences, IACS, Kolkata (December 2017 - August 2019)
  • Postdoctoral fellow. Department of Chemical Engineering, University of Michigan, Ann Arbor, USA. Advisor: Prof. Sharon Glotzer (January 2017 - December 2017)
  • Postdoctoral fellow. Department of Biochemistry and Molecular Biology, University of Chicago, Chicago, USA. Advisor: Prof. Benoit Roux (2011 - 2016)
  • Graduate student. Department of Chemistry, Stanford University, USA. Advisor: Prof. Hans C. Andersen (2005 - 2011)
  • M. Sc. in Chemistry. Indian Institue of Technology, Kanpur, India (2003 - 2005)
  • B. Sc. in Chemistry. Jadavpur University, Kolkata, India (2000 - 2003)

                             



Group

Soumak Ghosh


Institute Fellow
M.Sc. Chemistry
IIT Bombay
Molecular Mechanism of Copper Trafficking
cssg2202@iacs.res.in
Rumela Adhikary


Institute Fellow
M.Sc. Chemistry
University of Calcutta
Molecular Self-assembly
mcsra@iacs.res.in
Sumitava Kundu


INSPIRE Fellow
M.Sc. Physics
RKMVERI
Phase Transition in Hard Particle Systems
mcssk2@iacs.res.in
Argha Chakraborty


Integrated PhD
M.Sc. Chemistry IACS, Kolkata
Molecular Self-assembly
csac2388@iacs.res.in
Kaustav Chakraborty


Integrated PhD
M.Sc. Physics IACS, Kolkata
Phase Transition in Hard Particle Systems
pskc2187@iacs.res.in
Sangeeta Das


Integrated PhD
M.Sc. Mathematical and Computational Sciences IACS, Kolkata
Rare Event Simulations
intsd@iacs.res.in
Sk Hasibo Hasan


Institute Fellow
M.Sc. Chemistry IIEST, Shibpur
Mechanisn of Copper Trafficking
cshh2343@iacs.res.in

 



Publication

Publications
 

  • Molecular organisation in a spontaneously self-assembled peptide nanofiber

    Rumela Adhikary and Avisek Das

    Submitted

  • Melting of entropic colloidal crystals

    Sumitava Kundu and Avisek Das

    Under preparation

 

Publications before joining IACS

  • Proton contertransport and coupled gating in the sarcoplasmic reticulum calcium pump

    Huan Rui†,  Avisek Das†, Robert Nakamoto and Benoît Roux

    Journal of Molecular Biology 430, 5050 (2018)

  • Conformational transitions and alternating-access mechanism in the sarcoplasmic reticulum calcium pump.

    Avisek Das, Huan Rui, Robert Nakamoto and Benoît Roux

    Journal of Molecular Biology 429, 647 (2017)

  • Mechanism of potassium ions uptake by the Na+/K+-ATPase.

    Juan Pablo Castillo, Huan Rui, Daniel Basilio, Avisek Das, Benoît Roux, Ramon Latorre, Francisco Bezanilla and Miguel Holmgren

    Nature Communications 6, 7622 (2015)

  • Exploring the conformational transitions of biomolecular systems using a simple two-state anisotropic network model.

    Avisek Das, Mert Gur†, Mary Hongying Cheng†, Sunhwan Jo, Ivet Bahar and Benoît Roux  

    PLoS Computational Biology 10, e1003521 (2014)

  • The multiscale coarse-graining method. X: Improved algorithms for constructing coarse-grained po- tentials for molecular systems.

    Avisek Das†, Lanyuan Lu†, Hans C. Andersen and Gregory A. Voth

    Journal of Chemical Physics 136, 194115 (2012)

  • The multiscale coarse-graining method. IX. A general method for construction of three body coarse-grained force fields.

    Avisek Das and Hans C. Andersen

    Journal of Chemical Physics 136, 194114 (2012)

  • The multiscale coarse-graining method. VIII. Multiresolution hierarchical basis functions and basis function selection in the construction of coarse-grained force fields.

    Avisek Das and Hans C. Andersen

    Journal of Chemical Physics 136, 194113 (2012)

  • The multiscale coarse-graining method. V. Isothermal-isobaric ensemble.

    Avisek Das and Hans C. Andersen

    Journal of Chemical Physics 132, 164106 (2010)

  • Efficient, Regularized, and Scalable Algorithms for Multiscale Coarse-Graining.

    Lanyuan Lu, Sergei Izvekov, Avisek Das, Hans C. Andersen, and Gregory A. Voth

    Journal of Chemical Theory and Computation 6, 954 (2010)

  • The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation.

    Avisek Das and Hans C. Andersen

    Journal of Chemical Physics 131, 034102 (2009)

  • The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.

    W. G. Noid, Jhih-Wei Chu, Gary S. Ayton, Vinod Krishna, Sergei Izvekov, Gregory A. Voth, Avisek Das, and Hans C. Andersen

    Journal of Chemical Physics 128, 244114 (2008)

  • Keggin Ion Mediated Synthesis of Hydrophobized Pd Nanoparticles for Multifunctional Catalysis.

    Saikat Mandal, Avisek Das, Rajendra Srivastava, and Murali Sastry

    Langmuir 21, 2408 (2005)

 







Teaching

  • Stochastic Simulation Practical (2019, Spring)
  • Computer Programming and Numerical Analysis Practical (2020, Autumn)
  • Advanced Statistical Mechanics (2021, Spring)

 


Open Positions

PhD Positions

We are also looking for PhD students with background in chemistry, physics, materials science and chemical engineering for our research projects in soft matter science. The work will involve understanding mechanisms of complex molecular and colloidal self-assemblies, phase transitions in colloidal systems and development of novel algorithms. Please send me an email at mcsad.AT.iacs.res.in with your CV research interests. Candidates must have their own fellowship through CSIR/UGC NET, DST-INSPIRE

Postdoctoral positions

If you are interested in a postdoctoral positions in our group please contact me directly. Candidates with backgrounds in theoretical/computational chemistry,  condensed matter/statistical/computational physics are particularly encoregared to apply. 


Honors/Awards

  • Ramanujan fellowship. Department of  Science and Technology, Government of India (2017 - 2022)
  • General proficiency medal. Indian Institue of Technology, Kanpur, India (2005)
  • University medal. Jadavpur University, Kolkata, India (2003)
  • KVPY fellowship. Department of  Science and Technology, Government of India (2001 - 2005)

 


Contact Us

Avisek Das

School of Chemical Sciences

Indian Association for the Cultivation of Science

Room C-221B, Centenary Building

2A & 2B Raja S. C. Mullick Road

 

Kolkata 700032, India

Email: mcsad.AT.iacs.res.in

Phone: +91 33 2473 4971 (Ext. 2136)