Understanding oxide ion transport in cation-ordered yttria-stabilized zirconia von Madhual, Sudeshna, Padma Kumar, P

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Accessing slow diffusion in solids by employing metadynamics simulation von Pramanik, Krishnanjan, Borah, Sangkha, Kumar, P. Padma

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Influence of Si/P ordering on Na+ transport in NASICONs von Roy, Supriya, Padma Kumar, P

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Ab initio molecular dynamics investigation of structural, dynamic and spectroscopic aspects of Se(vi) species in the aqueous environment von Borah, Sangkha, Padma Kumar, P

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Hydrogen-Bonding Structure and Dynamics of Aqueous Carbonate Species from Car−Parrinello Molecular Dynamics Simulations von Kumar, P. Padma, Kalinichev, Andrey G, Kirkpatrick, R. James

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Role of Ion–Ion Correlations on Fast Ion Transport: Molecular Dynamics Simulation of Na2Ni2TeO6 von Sau, Kartik, Kumar, P. Padma

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Influence of Cationic ordering on ion transport in NASICONs: Molecular dynamics study von Roy, Supriya, Kumar, P. Padma

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Influence of Si/P ordering on Na+ transport in NASICONs von ROY, Supriya, PADMA KUMAR, P

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Ab initio molecular dynamics study of Se(iv) species in aqueous environment von Borah, Sangkha, Kumar, P. Padma

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Ionic conduction in the solid state von Kumar, P. Padma, Yashonath, S.

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Dissociation of carbonic acid: gas phase energetics and mechanism from ab initio metadynamics simulations von Kumar, P Padma, Kalinichev, Andrey G, Kirkpatrick, R James

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Insights on oxide ion transport in yttria-doped ceria from molecular dynamics simulations von Madhual, Sudeshna, Kumar, P. Padma

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Ion Mobility and Levitation Effect: Anomalous Diffusion in Nasicon-Type Structure von Padma Kumar, P, Yashonath, S

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Role of Framework Flexibility in Ion Transport: A Molecular Dynamics Study of LiM2IV(PO4)(3) von Pramanik, Krishnanjan, Sau, Kartik, Kumar, P. Padma

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Molecular dynamics investigation of Na+ in Na2Ni2TeO6 von Sau Kartik, Padma, Kumar P

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Role of Framework Flexibility in Ion Transport: A Molecular Dynamics Study of LiM 2 IV (PO 4 ) 3 von Pramanik, Krishnanjan, Sau, Kartik, Kumar, P. Padma

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Structure, Conductivity, and Ionic Motion in Na1+xZr2SixP3-xO12: A Simulation Study von KUMAR, P. Padma, YASHONATH, S.

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A Full Interionic Potential for Na1+xZr2SixP3-xO12 Superionic Conductors von KUMAR, P. Padma, YASHONATH, Subramanian

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Understanding the Infrared Spectrum of Bare$CH_5 von Asvany, Oskar, Padma Kumar P, Redlich, Britta, Hegemann, Ilka, Schlemmer, Stephan, Marx, Dominik

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Influence of Si/P ordering on Na super(+) transport in NASICONs von Roy, Supriya, Padma Kumar, P

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