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Chemistry

D-Index
48
Citations
9681
World Ranking
15127
National Ranking
287

Overview

Amalendu Chandra is affiliated with the Indian Institute of Technology Kanpur in India. Their research output spans multiple areas within physical chemistry, molecular physics, and biochemistry, with a focus on computational and theoretical methods.

The scientist has contributed extensively to the understanding of molecular interactions and dynamics using spectroscopy and quantum chemical techniques. Their work often involves detailed simulations and vibrational studies relevant to biochemical systems and complex molecular assemblies.

Frequent publication venues for this researcher include:

  • The Journal of Physical Chemistry B
  • Journal of Computational Chemistry
  • Physical Chemistry Chemical Physics
  • The Journal of Physical Chemistry Letters
  • ChemPhysChem

Amalendu Chandra's scientific fields of study cover:

  • Physics and Astronomy
  • Biochemistry, Genetics and Molecular Biology
  • Chemistry

Their subfields of specialization include:

  • Atomic and Molecular Physics, and Optics
  • Molecular Biology
  • Spectroscopy
  • Materials Chemistry
  • Fluid Flow and Transfer Processes

Main research topics addressed by Amalendu Chandra involve:

  • Spectroscopy and Quantum Chemical Studies
  • Protein Structure and Dynamics
  • Spectroscopy and Laser Applications
  • Thermodynamic properties of mixtures
  • Enzyme Structure and Function
  • Amino Acid Enzymes and Metabolism
  • Advanced Chemical Physics Studies

Among their recent publications are:

  • All-Atom Simulations of Human ACE2-Spike Protein RBD Complexes for SARS-CoV-2 and Some of its Variants: Nature of Interactions and Free Energy Diagrams for Dissociation of the Protein Complexes, 2022, The Journal of Physical Chemistry B
  • Effects of Boron Nitride Nanotube on the Secondary Structure of Aβ(1-42) Trimer: Possible Inhibitory Effect on Amyloid Formation, 2020, The Journal of Physical Chemistry B
  • Solvation Shell of the Nitrite Ion in Water: An Ab Initio Molecular Dynamics Study, 2020, The Journal of Physical Chemistry B
  • Ab Initio Molecular Dynamics Study of Aqueous Solutions of Magnesium and Calcium Nitrates: Hydration Shell Structure, Dynamics and Vibrational Echo Spectroscopy, 2022, The Journal of Physical Chemistry B
  • Terahertz Spectrum of Water at Varying Temperatures from 260 to 340 K: Contributions from Permanent and Induced Dipole Correlations at Different Length Scales, 2023, The Journal of Physical Chemistry B

The researcher has collaborated frequently with several coauthors, including:

  • Banshi Das
  • Ravi Malik
  • Saheb Dutta
  • Abhilash Chandra
  • Shreya Rastogi

Best Publications

  • Effects of ion atmosphere on hydrogen-bond dynamics in aqueous electrolyte solutions

    Amalendu Chandra

  • Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton

    Dominik Marx;Amalendu Chandra;Mark E. Tuckerman

  • Molecular dynamics simulations of aqueous NaCl and KCl solutions: Effects of ion concentration on the single-particle, pair, and collective dynamical properties of ions and water molecules

    Snehasis Chowdhuri;Amalendu Chandra

  • Collective Orientational Relaxation in Dense Dipolar Liquids

    Biman Bagchi;Amalendu Chandra

  • Structure and dynamics of OH-(aq)

    Mark E. Tuckerman;Amalendu Chandra;Dominik Marx

  • Dielectric Constant of Water Confined in a Nanocavity

    Sanjib Senapati and;Amalendu Chandra

  • Dynamical Behavior of Anion−Water and Water−Water Hydrogen Bonds in Aqueous Electrolyte Solutions: A Molecular Dynamics Study

    Amalendu Chandra

  • Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functions.

    Amalendu Chandra;Mark E. Tuckerman;Mark E. Tuckerman;Dominik Marx

  • From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia

    A. Daniel Boese;Amalendu Chandra;Jan M. L. Martin;Dominik Marx

  • Dynamics of Halide Ion−Water Hydrogen Bonds in Aqueous Solutions: Dependence on Ion Size and Temperature

    Snehasis Chowdhuri;Amalendu Chandra

  • Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics

    Arindam Bankura;Anwesa Karmakar;Vincenzo Carnevale;Amalendu Chandra

  • A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl(-) ions.

    Bhabani S. Mallik;A. Semparithi;Amalendu Chandra

  • Vibrational spectral diffusion and hydrogen bond dynamics in heavy water from first principles.

    Bhabani S. Mallik;A. Semparithi;Amalendu Chandra

  • Hydration structure and diffusion of ions in supercooled water: Ion size effects

    Snehasis Chowdhuri;Amalendu Chandra

  • Static dielectric constant of aqueous electrolyte solutions: Is there any dynamic contribution?

    Amalendu Chandra

  • Hydrogen bond dynamics at vapour–water and metal–water interfaces

    Sandip Paul;Amalendu Chandra

  • Frequency dependence of ionic conductivity of electrolyte solutions

    Amalendu Chandra;Biman Bagchi

  • The role of translational diffusion in the polarization relaxation in dense polar liquids

    Amalendu Chandra;Biman Bagchi

  • Molecular theory of solvation and solvation dynamics of a classical ion in a dipolar liquid

    Amalendu Chandra;Biman Bagchi

  • Hydrogen bonds in aqueous electrolyte solutions: statistics and dynamics based on both geometric and energetic criteria.

    Snehasis Chowdhuri;Amalendu Chandra

  • Beyond the Classical Transport Laws of Electrochemistry: New Microscopic Approach to Ionic Conductance and Viscosity

    and Amalendu Chandra;Biman Bagchi

Frequent Co-Authors

Biman Bagchi
Biman Bagchi Indian Institute of Science
Dominik Marx
Dominik Marx Ruhr University Bochum
G. N. Patey
G. N. Patey University of British Columbia
Mark E. Tuckerman
Mark E. Tuckerman New York University
Dong-Qing Wei
Dong-Qing Wei Shanghai Jiao Tong University
Jan M. L. Martin
Jan M. L. Martin Weizmann Institute of Science
Stuart A. Rice
Stuart A. Rice University of Chicago
Graham R. Fleming
Graham R. Fleming University of California, Berkeley
Bernard R. Brooks
Bernard R. Brooks National Institutes of Health
Michael L. Klein
Michael L. Klein Temple University

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