Publications

A more comprehensive list of the publications from the group can be found on the Google Scholar page

Structure of the Bacterial Cell Envelope and Interactions with Antimicrobials: Insights from Molecular Dynamics Simulations
Pradyumn Sharma, Rakesh Vaiwala, Amar Krishna Gopinath, Rajalakshmi Chockalingam, and K. Ganapathy Ayappa. Langmuir (2024)

Trajectory-Extending Kinetic Monte Carlo Simulations to Evaluate Pure and Gas Mixture Diffusivities through a Dense Polymeric Membrane
Subhadeep Dasgupta, Arun K. S., K. Ganapathy Ayappa, and Prabal K. Maiti. Journal of Physical Chemistry B (2023)

Cholesterol catalyzes unfolding in membrane-inserted motifs of the pore forming protein cytolysin A
Avijeet Kulshrestha, SN Punnathanam, KG Ayappa, Biophysical Journal (2023)

Selective Photonic Gasification of Strained Oxygen Clusters on Graphene for Tuning Pore Size in the Å Regime
Luc Bondaz, Anshaj Ronghe, Shaoxian Li, Kristia̅ns Čerņevičs, Jian Hao, Oleg V. Yazyev, KG Ayappa, Kumar Varoon Agrawal, JACS Au (2023).

Martini-3 Coarse-Grained Models for the Bacterial Lipopolysaccharide Outer Membrane of Escherichia coli
Rakesh Vaiwala and K. Ganapathy Ayappa. Journal of Chemical Theory and Computation (2023)

Graphene Nanopores Enhance Water Evaporation from Salt Solutions: Exploring the Effects of Ions and Concentration
Anshaj Ronghe and K. Ganapathy Ayappa. Langmuir (2023)

Influence of chain length on structural properties of carbon molecular sieving membranes and their effects on CO2, CH4and N2 adsorption: A molecular simulation study
Subhadeep Dasgupta, Rajasekaran M., Projesh K. Roy, Foram M. Thakkar, Amar Deep Pathak, K. Ganapathy Ayappa and Prabal K. Maiti. Journal of Membrane Science (2022).

Interactions of Surfactants with the Bacterial Cell Wall and Inner Membrane: Revealing the Link between Aggregation and Antimicrobial Activity
Pradyumn Sharma, Rakesh Vaiwala, Srividhya Parthasarathi, Nivedita Patil, Anant Verma, Morris Waskar, Janhavi S. Raut, Jaydeep Kumar Basu and K. Ganapathy Ayappa, Langmuir (2022).

A Molecular Dynamics Study of Antimicrobial Peptide Interactions with the Lipopolysaccharides of the Outer Bacterial MembranePradyumn Sharma and K. Ganapathy Ayappa. The Journal of Membrane Biology (2022). 

Differentiating interactions of antimicrobials with Gram-negative and Gram-positive bacterial cell walls using molecular dynamics simulations
Rakesh Vaiwala, Pradyumn Sharma and K. Ganapathy Ayappa. Biointerphases, (2022).

Enhanced Water Evaporation from Å-Scale Graphene Nanopores
Wan-Chi Lee, Anshaj Ronghe, Luis Francisco Villalobos, Shiqi Huang, Mostapha Dakhchoune, Mounir Mensi, Kuang-Jung Hsu, K Ganapathy Ayappa, Kumar Varoon Agrawal, ACS Nano (2022).

Finite temperature string method with umbrella sampling using path collective variables: application to secondary structure change in a protein
A Kulshrestha, SN Punnathanam, KG Ayappa, Soft Matter (2022)

Influence of the extent of hydrophobicity on water organization and dynamics on 2D graphene oxide surfaces
Rajasekaran M. and K. Ganapathy Ayappa. Physical Chemistry Chemical Physics (2022).

Coupling of mitochondrial population evolution to microtubule dynamics in fission yeast cells: a kinetic Monte Carlo study
S Choudhury, V Ananthanarayanan, K. Ganapathy Ayappa. Soft Matter (2022)

A Generic Force Field for Simulating Native Protein Structures Using Dissipative Particle Dynamics
Rakesh Vaiwala, K. Ganapathy Ayappa, Soft matter (2021).

Bacterial protein Listeriolysin O induces non-monotonic dynamics due to lipid ejection and crowding
Ilanila Ponmalar, K. Ganapathy Ayappa and Jaydeep K. Basu. Biophysical Journal (2021).

Evaluating Coarse-Grained MARTINI Force-Fields for Capturing the Ripple Phase of Lipid Membranes, Pradyumn Sharma, Rajat Desikan and K. Ganapathy Ayappa. Journal of Physical Chemistry B (2021)
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Developing a Coarse-Grained Model for Bacterial Cell Walls and Evaluating Mechanical Properties and Free Energy Barriers, Vaiwala  Rakesh, Sharma Pradyumn, Puranik Mrinalini and K. G. Ayappa, Journal of Chemical Theory and Computation (2020).
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Assessing Differential Barriers for Penetration of Antimicrobials Through Complex Asymmetric Bacterial Membranes: A case study with thymol, Pradyumn Sharma, Srividhya Parthasarathi, Nivedita Patil, Morris Waskar, Janhavi Raut, Mrinalini Puranik, K. Ganapathy Ayappa and Jaydeep K. Basu, Langmuir (2020).
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Investigations on 6FDA/BPDA-DAM Polymer Melt Properties and CO2 Adsorption Using Molecular Dynamics Simulations, Projesh Kumar Roy, Kishant Kumar, Foram M. Thakkar, Amar Deep Pathak Ganapathy Ayappa, Prabal K Maiti,  In Press, Journal of Membrane Science (2020).
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Influence of Surface Hydrophilicity and Hydration on the Rotational Relaxation of Supercooled Water on Graphene Oxide Surfaces, M. Rajasekeran, K. G. Ayappa, In Review, Physical Chemistry Chemical Physics (2020).
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Dynamical Transitions of Supercooled Water in Graphene Oxide Nanopores: Influence of Surface Hydrophilicity, M. Rajasekeran, K. G. Ayappa,  Journal of Physical Chemistry B, 124, 4805-4820 (2020).
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Assessing the Extent of the Structural and Dynamic Modulation of Membrane Lipids due to Pore Forming Toxins: Insights from Molecular Dynamics Simulations, Vadhana Varadarajan, Rajat Desikan and K. G. Ayappa, Soft Matter, 16, 4840-4857 (2020)
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Opening of Smaller Toxin Pores by Lipid Micelle Formation, Rajat Desikan, P. Padmanabhan, K.G. Ayappa, Proceedings of the National Academy of Sciences 117 (10), 5107-5108 (2020).
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Predicting Interfacial Hot-Spot Residues that Stabilize Protein-Protein Interfaces in Oligomeric Membrane-Toxin Pores through Hydrogen Bonds and Salt Bridges, Rajat Desikan, P.K. Maiti and K.G. Ayappa, Journal of Biomolecular Structure and Dynamics, 1-15 (2020)
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Dendrimer: A Novel Nanomaterial, Debabrata Pramanik, Subbarao Kanchi, K. G. Ayappa and Prabal K. Maiti, Springer Series in Materials Science Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile, Vol 284 (2020)
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Correlated protein conformational states and membrane dynamics during attack by pore-forming toxins
Ilanila I. Ponmalar, Ramesh Cheerla, K. Ganapathy Ayappa, and Jaydeep K. Basu- PNAS, 2019
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Enhancing Dynamics of Water Confined between Graphene Oxide Surfaces with Janus Interfaces: A Molecular Dynamics Study
R Manokaran, KG Ayappa - The Journal of Physical Chemistry B, 2019 - ACS Publications
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Influence of surface commensurability on the structure and relaxation dynamics of a confined monatomic fluid
Vadhana Varadarajan, Chandan Dasgupta and K. G. Ayappa, JCP 149, 064503 (2018).
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Cholesterol promotes Cytolysin A activity by stabilizing the intermediates during pore formation
Pradeep Sathyanarayana, Satyaghosh Maurya, Amit Behera, Monisha Ravichandran, Sandhya S. Visweswariah, K. Ganapathy Ayappa, and Rahul Roy​, PNAS (2018).
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Dendrimer Interactions with lipid bilayer: comparison of force-field and effect of implicit vs explicit solvation
S Kanchi, M Gosika, KG Ayappa, PK Maiti,Journal of chemical theory and computation (2018).
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Assessing the structure and stability of transmembrane oligomeric intermediates of an α-helical toxin
R Desikan, G Ayappa, PK Maiti,Langmuir 33 (42), 11496-11510 (2018).
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Complex dynamics at the nanoscale in simple biomembranes
NK Sarangi, KG Ayappa, JK Basu,Scientific Reports 7 (1), 11173 (2017).
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Comparison of coarse-grained (MARTINI) and atomistic molecular dynamics simulations of α and β toxin nanopores in lipid membranes
R Desikan, SM Patra, K Sarthak, PK Maiti, KG Ayappa, Journal of Chemical Sciences 129 (7), 1017-1030 (2017).
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Transmembrane oligomeric intermediates of pore forming toxin Cytolysin A determine leakage kinetics
Ayush Agrawal, K. Apoorva and K. G. Ayappa, RSC Adv, 7, 51750-51762 (2017).
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Capturing the membrane-triggered conformational transition of an α-helical pore-forming toxin
VVH Giri Rao, R Desikan, KG Ayappa, S Gosavi,The Journal of Physical Chemistry B 120 (47), 12064-12078 (2016).
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The solvent-exposed c-terminus of the cytolysin a pore-forming toxin directs pore formation and channel function in membranes
P Sathyanarayana, R Desikan, KG Ayappa, SS Visweswariah ,Biochemistry 55 (42), 5952-5961(2016).
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Super-resolution stimulated emission depletion-fluorescence correlation spectroscopy reveals nanoscale membrane reorganization induced by pore-forming proteins
Nirod Kumar Sarangi, Ilanila I. P, K. G. Ayappa, Sandhya. S. Visweswariah and Jaydeep Kumar Basu , Langmuir,(2016).
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Structure and Dynamics of Octamethylcyclotetrasiloxane Confined between Mica Surfaces
V Vadhana and K. G. Ayappa, Journal of Physical Chemistry B,120(11),2951–2967(2016).
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Nanoscale dynamics of phospholipids reveals an optimal assembly mechanism of pore-forming proteins in bilayer membranes
NK Sarangi, KG Ayappa, SS Visweswariah, JK Basu, Physical Chemistry Chemical Physics 18 (43), 29935-29945 (2016).
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pH controlled gating of toxic protein pores by dendrimers
Taraknath Mandal, Subbarao Kanchi, Ganapathy Ayappa and Prabal Kumar Maiti, Nanoscale,8,13045 (2016).
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Molecular dynamics study of the structure, flexibility, and hydrophilicity of PETIM dendrimers: a comparison with PAMAM dendrimers
Kanchi Subbarao, Suresh Gorle, Priyakumar, U. Deva, K. G. Ayappa and Prabal K Maiti (2015).
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Estimation of activation energy for electroporation and pore growth rate in liquid crystalline and gel phases of lipid bilayers using molecular dynamics …
Amit Kumar Majhi, Subbarao Kanchi, V. Venkataraman, K.G.Ayappa,and Prabal K. Maiti, Soft Matter,11,8632-8640 (2015).
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Effect of functional groups on separating carbon dioxide from CO2/N2 gas mixtures using edge functionalized graphene nanoribbons
Tonnishtha Das Gupta, Sudeep Punnathan, K.G. Ayappa, Invited Article, Danckwerts Special Issue,Chemical Engineering Science, 121, 279-291(2015).
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A new microscopic insight into membrane penetration and reorganization by PETIM dendrimers
R. Bhattacharya, Subbarao Kanchi, C. Roobala, A. Lakshminarayanan, Oliver H. Seeck, Prabal K. Maiti, K. G. Ayappa, N. Jayaraman and J. K. Basu,Soft Matter, 10, 7577-7587(2014).
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Laterally structured ripple and square phases with one and two dimensional thickness modulations in a model bilayer system
Ananya Debnath, Foram Thakkar, Prabal K Maiti, V. Kumaran and K.G. Ayappa, Soft Matter, 10, 7630-7637(2014).
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Evaluating methane storage targets: from powder samples to onboard storage systems
B. P. Prajwal and K. G. Ayappa, Adsorption,769–776 (2014).
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Enhanced gas adsorption on graphitic substrates via defects and local curvature: a density functional theory study
Debosruti Dutta, Brandon C. Wood, Shreyas Y. Bhide, K. Ganapathy Ayappa and Shobhana Narasimhan, Journal of Physical Chemistry C, 118, 7741-7750 (2014).
 
Influence of exhaust gas heating and L/D ratios on the discharge efficiencies for an activated carbon natural gas storage system
P. K. Sahoo, B. P. Prajwal, Siva Kalyan Dasetty, M. John , B. L. Newalkar, N. V. Choudary and K. G. Ayappa, Applied Energy, 15,190–203 (2014).
 
Lysis dynamics and membrane oligomerization pathways for Cytolysin A (ClyA) pore-forming toxin
M. S. Vaidyanathan, Pradeep Sathyanarayana, Prabal K.Maiti, Sandhya S. Visweswariah, and K.G. Ayappa, RSC Advances, 4, 4930-4942 (2014).
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Filling characteristics for an activated carbon based adsorbed natural gas storage system
Pradeepta K. Sahoo, Mathew John, Bharat L. Newalkar, N. V. Choudhary and K. G. Ayappa, Ind. Eng. Chem. Res., 53, 4522–4523 (2014).
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Simulation of influence of bilayer melting on dynamics and thermodynamics of interfacial water
Ananya Debnath, Prabal Maiti, K. G. Ayappa, Physical Review Letters, 110, 018303, (2013).
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Adsorption on edge-functionalized bilayer graphene nanoribbons: assessing the role of functional groups in methane uptake
Vinay Kandagal, Amar Deep Pathak, K. G. Ayappa, and Sudeep Punnathanam, Journal of Physical Chemistry C, 116, 23394-23403 (2012).
 
Methane and carbon dioxide adsorption on edge-functionalized graphene: a comparative DFT study
Brandon C. Wood1, Shreyas Y. Bhide, Debosruti Dutta, Vinay S. Kandagal, Amar Deep Pathak, Sudeep N. Punnathanam, K. G. Ayappa, and Shobhana Narasimhan, J. Chem. Phys. 137, 054702 (2012).
 
Non-monotonic, distance-dependent relaxation of water in reverse micelles: propagation of surface induced frustration along hydrogen bond networks
Rajib Biswas, Tamaghna Chakraborti, Biman Bagchi, and K. G. Ayappa, J. Chem. Phys. 137, 014515 (2012).
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Confined fluids in a Janus pore: influence of surface asymmetry on structure and solvation forces
Ateeque Malani and K. G. Ayappa, Molecular Simulation, DOI:10.1080/08927022.2012.696111 (2012).
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Relaxation and jump dynamics of water at the mica interface
Ateeque Malani and K. G. Ayappa, J. Chem. Phys. 136, 194701 (2012).
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Glassy dynamics in a confined monatomic fluid
S. H. Krishnan and K. G. Ayappa, Phys. Rev. E 86, 011504 (2012).
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Filling characteristics for an activated carbon based adsorbed natural gas storage system
Pradeepta K. Sahoo, Mathew John, Bharat L. Newalkar, N. V. Choudhary and K. G. Ayappa, In Press, I & EC Research (2011).
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Verifying scalings for bending rigidity of bilayer membranes using mesoscale models
Foram M. Thakkar, Prabal K. Maiti, V. Kumaran and K. G. Ayappa, Soft Matter, DOI 10.1039/C0SM00876A (2011).
Entropy and dynamics of water in hydration layers of a bilayer
Ananya Debnath, Biswaroop Mukherjee, K. G. Ayappa, Prabal K. Maiti and Shiang-Tai Lin,Journal of Chemical Physics, 133, 174704-174716 (2010).
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Investigations on the melting and bending modulus of polymer grafted bilayers using dissipative particle dynamics
Foram Thakkar and K. G. Ayappa, Biomicrofluidics, Special Issue on Surface Modification, Wetting, and Biological Interfaces, 4, 032203 (2010).
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Hydration of ions under confinement
Ateeque Malani, K. G. Ayappa and Sohail Murad,Molecular Simulations Special Issue: Recent Developments in Molecular Simulations, 36, 578-579 (2010).
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Combined atomic force microscopy and modeling study of the evolution of octadecylamine films on a mica surface
K. G. Patil, V. Santhanam, S. K. Biswas and K. G. Ayappa, J. Phys. Chem. C, 114, 3549-3559 (2010).
 
Effect of polymer grafting on the bilayer gel to liquid-crystalline transition
Foram Thakkar and K. G. Ayappa, J. Phys. Chem. B 114, 2738 – 2748 (2010). (not showing in google scholar)
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Computer simulation of liquid crystals
J. of Indian Institute of Science, A Multidisciplinary Reviews Journal – Special Issue on Liquid Crystals, Prabal K. Maiti, V. Arun Kumar and K. G. Ayappa, 89 (2), 229-241, (2009).
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Influence of hydrophilic surface specificity on the structural properties of confined water
Ateeque Malani, K. G. Ayappa, Sohail Murad, J. Phys. Chem. B, 113, 13825 – 13839 (2009).
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The influence of bilayer composition on the gel to liquid crystalline transition
Ananya Debnath, K. G. Ayappa, V. Kumaran and Prabal Maiti, J. Phys. Chem. B, 113, 10660-10668 (2009)
 
Adsorption isotherms of water on mica: redistribution and film growth
Ateeque Malani and K.Ganapathy Ayappa, The Journal of Physical Chemistry B, 113, 1058 – 1067 (2009)
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Freezing of fluids confined between mica surfaces
Ayappa, K. G.; Mishra, R. K., J. Phys. Chem. B., 111, 14299-14310 (2007)
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Enhancing the hydrophobic effect in confined water nanodrops
Rao, P. V. G.; Gandhi, K. S.; Ayappa, K. G. Langmuir, (Letter), 23, 12795-12798 (2007)
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Molecular simulations: probing systems from the nanoscale to mesoscale
J. of Indian Institute of Science, A Multidisciplinary Reviews Journal (Invited), K. G. Ayappa, Ateeque Malani, Patil Kalyan and Foram Thakkar, 87, 35-60 (2007).
 
Using γ distributions to predict self-diffusivities and density of states of fluids confined in carbon nanotubes
Vinit Choudhary, K. G. Ayappa, Phys. Chem. Chem. Phys., 16, 1952-1961 (2007).
 
Self-diffusivity and velocity autocorrelation functions for xenon in NaY using memory kernels
Special Issue: Seventh Liblice Conference on the Statistical Mechanics of Liquids, P. Kharat, S. H. Krishnan; K. G. Ayappa, Molecular Physics, 104, 3809 (2006)
 
Effect of confinement on the hydration and solubility of NaCl in water
A. Malani, K. G. Ayappa and S. Murad, Chemical Physics Letters, 431, 88-93 (2006).
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A Model for Liquid State Dynamics: Applications to Bulk and Confined Fluids, J. Chem. Phys., S. H. Krishnan and K. G. Ayappa, 124, 144503-1, 144503-16 (2006).
 
Relaxation and short time dynamics of bulk liquids and fluids confined in spherical cavities and slit pores
S. H. Krishnan and K. G. Ayappa, J. Phys. Chem. B, 109, 23237-23249, (2005).
 
Large distinct diffusivity in binary mixtures confined to zeolite NaY
C. R. Kamala, S. Yashonath and K. G. Ayappa, J. Phys. Chem. B (Letter), 109, 22092-22095 (2005)
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Thermal Study of Accumulation of Conformational Disorders in the Self-Assembled Monolayers of C8 and C18 Alkanethiols on the Au(111) Surface
Prathima N., Harini M., Neeraj Rai, Chandrashekara R. H., Ayappa K.G., Sampath S., Biswas S.K., Langmuir, 21, 2364-2374 (2005)
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Solid/solid phase transitions in confined thin films: A zero temperature approach
H. Bock, K. E. Gubbins and K. G. Ayappa, J. Chem. Phys., 122, 094709 (2005)
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Ion exchange in reverse micelles
Sandeep Pal, G. Vishal, K. S. Gandhi and K. G. Ayappa, Langmuir, 21, 767-779 (2005).
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Modeling velocity autocorrelation functions for confined fluids using γ distributions
S. H. Krishnan and K. G. Ayappa, J. Chem. Phys., 121, 3197 (2004).
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Solvation force, structure and thermodynamics of fluids confined in geometrically rough pores
Chandana Ghatak and K.G. Ayappa, J. Chem. Phys., 120, 9703-9714, (2004).
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Distinct diffusion in binary mixtures confined in slit graphite pores
C. R. Kamala, K. G. Ayappa and S. Yashonath, J. Phys. Chem. B., 108, 4411-4421 (2004)
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Molecular dynamic simulations of self-assembled alkylthiolate monolayers on an Au (111) surface
Beena Rai, P. Satish, Chetan P Malhotra, Pradip and K. G. Ayappa, Langmuir, 20, 3138-3144, (2004).
 
Modeling velocity autocorrelation functions of confined fluids: A memory function approach
S. H. Krishnan and K. G. Ayappa, J. Chem. Phys., 118, 690-705 (2003)
 
The structure of frozen phases in slit nanopores: A grand canonical Monte Carlo study
K. G. Ayappa and Chandana Ghatak, J. Chem. Phys., 117, 5373-5384 (2002).
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Mutual diffusion in a binary Ar-Kr mixture confined within zeolite NaY
C. R. Kamala, S. Yashonath and K. G. Ayappa, Phys. Rev. E., 65, 061202-061214 (2002).
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Solid–solid transitions in slit nanopores
Chandana Ghatak and K. G. Ayappa, Special Issue Journal of Colloids and Surfaces: Indo-French Workshop, Pune, India, ``Advances in the Understanding of Adsorption Phenomena at Solid/Aqueous Solutions Interfaces", 205, 111-117 (2002)
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A fixed-grid finite element based enthalpy formulation for generalized phase change problems: role of superficial mushy region
Madhuchhanda Bhattacharya, Tanmay Basak and K. G. Ayappa, Int. J. of Heat and Mass Transfer, 45, 4881-4898 (2002).
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Role of length scales on microwave thawing dynamics in 2D cylinders
Tanmay Basak and K. G. Ayappa, Int. J. of Heat and Mass Transfer, 45, 4543-4559 (2002).
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Microwave heating in multiphase systems: evaluation of series solutions
K. G. Ayappa and Tirthankar SenGupta, J. of Eng. Math, 44, 155-171 (2002) (Invited Article)..
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Solid-solid transformations in a confined soft sphere fluid
Chandana Ghatak and K. G. Ayappa, Phys. Rev. E., 64, 051507 (2001)..
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Structural transitions of nitrogen confined in slit graphite pores
J. Kamakshi and K. G. Ayappa, Langmuir, 17, 5245-5255 (2001)
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Influence of internal convection during microwave thawing of cylinders
Tanmay Basak and K. G. Ayappa, AIChE. J., 47, 835-850 (2001).
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Molecular dynamics study of vacancy diffusion in a forced Lennard-Jones system
S. Balaji, T. A. Abinandanan, K. G. Ayappa and N. Chandrashekar, Phil. Mag. A., 80, 301-310 (2000).
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Statistical thermodynamics of lattice models in zeolites: Implications of local versus global mean field interactions
K. G. Ayappa J. Chem. Phys., 111, 4736-4742 (1999).
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Mean field lattice model for adsorption isotherms in zeolite NaA
K. G. Ayappa, C. R. Kamala, and T. A. Abinandanan, J. Chem. Phys., 110, 8714-8721 (1999).
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Resonant microwave power absorption in slabs
K. G. Ayappa, Journal of Microwave Power and Electromagnetic Energy, 34, 33-41 (1999).
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Analysis of microwave sintering of ceramics
Anindita Chatterjee, Tanmay Basak and K. G. Ayappa, AIChE. J., 44, 2302-2311 (1998).
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Density distributions of diatoms in carbon nanotubes: A grand canonical Monte Carlo study
 Ifadat Ali Khan and K. G. Ayappa, Journal of Chemical Physics, 109, 4576-4586 (1998).
 
Simulations of binary mixture adsorption in carbon nanotubes: Transitions in adsorbed fluid composition
K. G. Ayappa, Langmuir, 14, 880-890 (1998).
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Influence of temperature on mixture adsorption in carbon nanotubes: a grand canonical Monte Carlo study
K. G. Ayappa, Chemical Physics Letters, 282, 59-63 (1998).
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Analysis of microwave thawing of slabs with effective heat capacity method
Tanmay Basak and K. G. Ayappa, AIChE J., 43, 1662-1674 (1997).
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Resonant microwave power absorption in slabs and cylinders
K. G. Ayappa, S. A. Barringer, H. T. Davis and E. A. Davis, AIChE J., 43, 615-624 (1997).
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Modelling transport processes during microwave heating: A review
K. G. Ayappa, Reviews in Chemical Engineering, 13, 1-69 (1997).
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Binary fluids in planar nanopores: Adsorptive selectivity, heat capacity and self-diffusivity
S. A. Somers, K. G. Ayappa, A. V. McCormick and H. T. Davis, Adsorption, 2, 33-40 (1996).
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Microwave‐heating temperature profiles for thin slabs compared to Maxwell and Lambert law predictions
Barringer S. A., K. G. Ayappa, J. Gordon, K. G. Ayappa and H. T. Davis, J. Food Sci., 60, 1137-1142 (1995).
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Power absorption during microwave heating of emulsions and layered systems
Barringer S. A., K. G. Ayappa, E. A. Davis, J. Gordon, and H. T. Davis, J. Food Sci., 60, 1132-1136 (1995).
 
Effect of sample size on the microwave heating rate: oil vs. water
Barringer S. A., E. A. Davis, J. Gordon, K. G. Ayappa and H. T. Davis, AIChE J., 40, 1433-1439 (1994).
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Microwave driven convection in a square cavity
K. G. Ayappa, S. Brandon, J. J. Derby, H. T. Davis, E. A. Davis and J. Gordon, AIChE J., 40, 1268 (1994).
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Influence of sample width on deducing capillary pressure curves with the centrifuge
Ayappa K. G., H. T. Davis, E. A. Davis, and J. Gordon, Chem. Engng. Sci., 49, 327-333 (1994).
 
Microwave thawing of lossy dielectric materials
 Pangrle B. P., K. G. Ayappa, E. A. Sutanto, H. T. Davis, E. A. Davis and J. Gordon, Chem. Engng. Comm., 112, 39-53 (1992).
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Two‐dimensional finite element analysis of microwave heating
Ayappa K. G., H. T. Davis, E. A. Davis and J. Gordon, 38, 1577-1592 (1992).
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Microwave thawing of cylinders
Pangrle B. P., K. G. Ayappa, H. T. Davis, E. A. Davis and J. Gordon, AIChE J., 37, 1789-1800 (1991).
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Analysis of microwave heating of materials with temperature‐dependent properties
Ayappa K. G., H. T. Davis, E.A.Davis and J. Gordon, AIChE J., 37, 313-322 (1991).
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Microwave heating: an evaluation of power formulations
Ayappa K. G., H. T. Davis, G. Crapiste, E. A. Davis and J. Gordon, Chem. Engng. Sci., 46, 1005-1016 (1991).
 
Capillary pressure: centrifuge method revisited
Ayappa K. G., H. T. Davis, E. A. Davis and J. Gordon, AIChE J., 35, 365-372 (1989).