Topological Identification Criteria, Stability, and Relevance of Pentagonal Nanochannels in Amorphous Ice von Pingua, Nandlal, Apte, Pankaj A

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Cooperative freezing of the L12 ordered domains at the critical cooling temperature of Ni3Fe alloy von Mangla, Anil, Deo, Goutam, Apte, Pankaj A

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Increase in local crystalline order across the limit of stability leads to cubic-hexagonal stacking in supercooled monatomic (mW) water von Pingua, Nandlal, Apte, Pankaj A.

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Dynamical Instability Causes the Demise of a Supercooled Tetrahedral Liquid von Gautam, Arvind Kumar, Pingua, Nandlal, Goyal, Aashish, Apte, Pankaj A.

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Anisotropy of crystal-melt interfacial free energy of silicon by simulation von Apte, Pankaj A., Zeng, X. C.

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Efficient computation of free energy of crystal phases due to external potentials by error-biased Bennett acceptance ratio method von Apte, Pankaj A.

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Freezing point and solid-liquid interfacial free energy of Stockmayer dipolar fluids: a molecular dynamics simulation study von Wang, Jun, Apte, Pankaj A, Morris, James R, Zeng, Xiao Cheng

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Nonmonotonic Dependence of the Absolute Entropy on Temperature in Supercooled Stillinger-Weber Silicon von Apte, Pankaj A., Gautam, Arvind K.

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The freezing tendency towards 4-coordinated amorphous networks causes an increase in the heat capacity of supercooled Stillinger–Weber silicon von Apte, Pankaj A., Pingua, Nandlal, Gautam, Arvind Kumar, Kumar, Uday, Willow, Soohaeng Yoo, Zeng, Xiao Cheng, Kulkarni, B. D.

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Exploring optimal total metal loading of Ni3Fe/Al2O3 catalyst for CO2 methanation and its kinetic model von Kumar Prabhakar, Jitendra, Apte, Pankaj A., Deo, Goutam

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The kinetics of Ni/Al2O3 and Ni-Fe/Al2O3 catalysts for the CO2 methanation reaction and the reasons for promotion von Kumar Prabhakar, Jitendra, Apte, Pankaj A., Deo, Goutam

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Direct calculation of solid-vapor coexistence points by thermodynamic integration: Application to single component and binary systems von Apte, Pankaj A., Kusaka, Isamu

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Cooperative freezing of the L12 ordered domains at the critical cooling temperature of Ni 3 Fe alloy von Mangla, Anil, Deo, Goutam, Apte, Pankaj A

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NiFe local ordering in segregated Ni3Fe alloys: A simulation study using angular dependent potential von Mangla, Anil, Deo, Goutam, Apte, Pankaj A.

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Direct calculation of solid-liquid coexistence points of a binary mixture by thermodynamic integration von Apte, Pankaj A, Kusaka, Isamu

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Evaluation of the translational free energy in a melting temperature calculation by simulation von Apte, Pankaj A, Kusaka, Isamu

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Benchmarking potential catalysts and choice of descriptor for CO2 methanation using transition metal based catalysts von Kumar, Rahul, P, Athira, Prabhakar, Jitendra Kumar, Nayak, Sudhir C., Apte, Pankaj A., Deo, Goutam, Ray, Koustuv

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Bubble nucleation in micellar solution: a density functional study von Apte, Pankaj A, Kusaka, Isamu

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Direct calculation of solid-liquid coexistence points of a binary mixtureby thermodynamic integration von Apte, Pankaj A., Kusaka, Isamu

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The freezing tendency towards 4-coordinated amorphous networks causes an increase in the heat capacity of supercooled Stillinger-Weber siliconElectronic supplementary information (... von Apte, Pankaj A, Pingua, Nandlal, Gautam, Arvind Kumar, Kumar, Uday, Willow, Soohaeng Yoo, Zeng, Xiao Cheng, Kulkarni, B. D

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