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The Journal of Physical Chemistry Letters|September 4, 2024
Resolving the Debate between Boltzmann and Gibbs Entropy: Relative Energy Window Eliminates Thermodynamic Inconsistencies and Allows Negative Absolute TemperaturesAnanth Govind RajanNano Letters|October 4, 2021
Modulating Water Slip Using Atomic-Scale Defects: Friction on Realistic Hexagonal Boron Nitride SurfacesAniruddha Seal, Ananth Govind RajanIscience|March 4, 2022
Chemical vapor deposition of 2D materials: A review of modeling, simulation, and machine learning studiesSayan Bhowmik, Ananth Govind RajanThe Journal of Chemical Physics|June 1, 2022
Tailoring nanoporous graphene via machine learning: Predicting probabilities and formation times of arbitrary nanopore shapesRahul Sheshanarayana, Ananth Govind RajanSmall (Weinheim an Der Bergstrasse, Germany)|July 1, 2025
Size and Chemical Environment Control Nanopore Geometry in 2D MoS<sub>2</sub>: From Irregular to Triangular DefectsSayan Bhowmik, Ananth Govind RajanNanoscale|April 1, 2026
Aqueous chemistry of MoS<sub>2</sub> nanopores: how functional groups influence water permeation and ion/boron rejectionPradeep Dhondi, Ananth Govind RajanJournal of Chemical Theory and Computation|April 8, 2024
Predicting Quantum-Mechanical Partial Charges in Arbitrarily Long Boron Nitride Nanotubes to Accurately Simulate Nanoscale Water TransportShiv Kumar, Ananth Govind RajanLangmuir : the ACS Journal of Surfaces and Colloids|July 22, 2022
Surface Roughness Explains the Observed Water Contact Angle and Slip Length on 2D Hexagonal Boron NitrideAshutosh Kumar Verma, Ananth Govind RajanThe Journal of Physical Chemistry. B|February 4, 2022
How Grain Boundaries and Interfacial Electrostatic Interactions Modulate Water Desalination via Nanoporous Hexagonal Boron NitrideBharat Bhushan Sharma, Ananth Govind RajanThe Journal of Chemical Physics|January 29, 2025
Molecular dynamics simulations of functionalized hBN nanopores in water: Ab initio force field and implications for water desalinationSagar Ghorai, Pradeep Dhondi, Ananth Govind RajanPageof 5