{"id":185,"date":"2023-07-19T14:35:07","date_gmt":"2023-07-19T14:35:07","guid":{"rendered":"https:\/\/nammapsik.iisc.ac.in\/?page_id=185"},"modified":"2023-07-19T15:58:27","modified_gmt":"2023-07-19T15:58:27","slug":"poster-titles","status":"publish","type":"page","link":"https:\/\/nammapsik.iisc.ac.in\/index.php\/poster-titles\/","title":{"rendered":"Poster Titles"},"content":{"rendered":"\n
Abhijith V G<\/td>Design of an aluminum ion battery with\u00a0 graphyne host: lowest volume expansion, high stability, and low diffusion barriers<\/td><\/tr>
Agrim Sharma<\/td>Ab-initio Calculation of Linear Electro-Optic Tensor for Barium titanate<\/td><\/tr>
Aiswarya Samal<\/td>Thermal and Electrical Conductivity of Copper-Graphene Heterosystem: An Effect of Strain and Thickness<\/td><\/tr>
Anita Gemmy Francis<\/td>Pressure-Induced Topological Phase Transition in Quasi 1D TaSe3<\/sub><\/td><\/tr>
Anjali Gaur<\/td>Conformer population in liquid ethylene glycol (EG) and their selection in aqueous solution and at the liquid-vapor interface\u00a0using a refined nonpolarizable force field<\/td><\/tr>
Ankit Kumar Verma<\/td>In Silico Investigation of Molybdenum Oxide as a Potential Catalyst for Electrochemical Oxygen Evolution<\/td><\/tr>
Arijit Sinha<\/td>The origin of ultra-low lattice thermal conductivity of hybrid-halide perovskites AIPbIII3: First-principles analysis<\/td><\/tr>
Arko Parui<\/td>Connecting the Barrierless Selective Reduction of CO2<\/sub> with the Properties of Ti2<\/sub>C(OH)2<\/sub> through the Formation of Highly Reactive Intermediates<\/td><\/tr>
Ashutosh Srivastava<\/td>Atomic Co-ordination Dependent High Thermoelectric Transport in Spinel Oxides<\/td><\/tr>
Avula Nikhil<\/td>Understanding the anomalous diffusion of water in aqueous electrolytes using machine learning potentials<\/td><\/tr>
Debolina Deb<\/td>Critical overview of polyanionic frameworks as positive electrodes for Na-ion batteries<\/td><\/tr>
Deepak Kumar Roy<\/td>Magnetism in ultrathin quantum spin liquid Na2<\/sub>IrO3<\/sub> flakes<\/td><\/tr>
Deepak Kumar Singh<\/td>Machine learning for solving the electronic structure problem for spherically symmetrical potentials<\/td><\/tr>
Dhondi Pradeep<\/td>Using DFT to Develop Force-Field Parameters for Functionalized MoS2<\/sub> and their Application to Water\/Ion Permeation Through Nanopores<\/td><\/tr>
Dhrubanka Sarma<\/td>Role of Vacancy in He Trapping in CuZr System<\/td><\/tr>
Dimple Rani<\/td>Comparative defect study of chalcopyrite semiconductors using highly accurate and efficient exchange-correlation approximations in DFT<\/td><\/tr>
Disha Brahma<\/td>Predicting the water adsorption isotherms of Covalent Organic Frameworks<\/td><\/tr>
Mukhtiyar Singh<\/td>Engineering Optoelectronic properties of Cs2<\/sub>SnI6<\/sub> using Pressure<\/td><\/tr>
Sonu Prasad Keshri<\/td>Thermomagnetic Materials: Topological aspect in heat-to-electricity conversion<\/td><\/tr>
Durgesh Kumar Sharma<\/td>Structural Stability, Electronic Structure, and Strain Response of 2D Polymorphs of Tantalum Nitride: An ab-initio Study<\/td><\/tr>
Garima Ahuja<\/td>2DEG at semiconductor heterostructure interfaces<\/td><\/tr>
Ishita Shitut<\/td>Real-Space Stochastic GW Calculations Benchmark on GW100<\/td><\/tr>
Karthik HJ<\/td>Electric field tunability of band gap – Single and Double Polyyne chains<\/td><\/tr>
Kartick Ramakrishnan<\/td>Unlocking the potential of ab initio modeling for energy-storage materials using fast and accurate real-space finite-element-based methodologies.<\/td><\/tr>
M B Raj<\/td>Novel multiscale modeling methodology for chemical kinetic modeling of fuel oxidation using atomistic calculations: Application towards hydrogen combustion<\/td><\/tr>
Mandira Das<\/td>Effects of chemical and magnetic disorder on the electrochemical properties of V2\u2212x<\/sub>Mnx<\/sub>CO2<\/sub> MXene electrodes<\/td><\/tr>
Manoj Dey<\/td>Large Frank-Condon Relaxation Dynamics of Hole Polarons in LiGaO2<\/sub>: Origin of Broad Luminescence<\/td><\/tr>
Mayank Sharma<\/td>Computational study of oxide-based cathode materials for the application in Batteries<\/td><\/tr>
Muhammed Fasil P P<\/td>Higher-order finite-element-based methods for non-collinear magnetism and spin-orbit coupling in real-space density functional theory<\/td><\/tr>
Namana Venkatareddy<\/td>Bi-excitons in molecules<\/td><\/tr>
Nikhil Kodali<\/td>Higher-order finite-element based methods for non-collinear magnetism and spin-orbit coupling in real-space density functional theory<\/td><\/tr>
Pabitra Kumar Nayak<\/td>Tuning charge carrier dynamics through spacer cation functionalization in layered halide perovskites: an ab initio quantum dynamics study<\/td><\/tr>
Ponnappa K P<\/td>Enhancing the Catalytic Activity of Zirconium Tri-sulfides by Functionalization, Vacancy Defect, and Strain Engineering<\/td><\/tr>
Preeti Bhumla<\/td>Vacancy-Ordered Double Perovskites Cs2<\/sub>BI6<\/sub> (B = Pt, Pd, Te, Sn): An Emerging Class of Thermoelectric Materials<\/td><\/tr>
Pritam Ghosh<\/td>Metal oxides as gas sensors<\/td><\/tr>
Rajeev Ranjan<\/td>HfZrNiCoSnSb: A\u00a0 half-Heusler-based new high entropy alloy having high thermoelectric performance<\/td><\/tr>
Ramsamoj Kewat<\/td>Spin-Orbit Interaction, Band Topology, and Spin Texture in BiInO3<\/sub>(001) Surface<\/td><\/tr>
Ritam Chakraborty<\/td>On-surface Indigo Isomerization Within 1D Coordination Polymer<\/td><\/tr>
Ritwik Das<\/td>Magnetization Orientation Driven Topological Phase Transition in a Monolayer Honeycomb Transition Metal Trichloride<\/td><\/tr>
Robin Bajaj<\/td>Calculation of Gilbert damping and magnetic moment of inertia using torque-torque correlation model within ab-initio Wannier framework<\/td><\/tr>
Roumita Roy<\/td>Quasi-two-dimensional antiferromagnetism with large magnetocrystalline anisotropy in the half-filled square-planar Iridate Cs2<\/sub>Na2<\/sub>IrO4<\/sub>.<\/td><\/tr>
S Shri Hari<\/td>QuantumMASALA: A scalable Plane-Wave code written purely in Python<\/td><\/tr>
Saheb Bera<\/td>Exploring the Impact of Coordination Symmetries, Transition Metals, and Surface Terminations on the Phase Stability of MXenes<\/td><\/tr>
Sangeeta<\/td>Carrier Concentration Optimisation Enhances Thermoelectric Performance of LiCaAs and LiCaSb Half Heusler Alloys<\/td><\/tr>
Shibu Meher<\/td>Designing Quantum Defects through First Principles Calculations<\/td><\/tr>
Shinjan Mandal<\/td>Phonon linewidth in twisted bilayer graphene<\/td><\/tr>
Shrey Jain<\/td>Orbital Independent Treatment of Hartree Theory and Finding the Extrema of Functionals Without Evaluating Functional Derivatives<\/td><\/tr>
Sirsha Guha<\/td>High-throughput design of functional-engineered MXene transistors with low-resistive contacts<\/td><\/tr>
Sourav Ghosh<\/td>Bond Exchange Mechanism Drives Volmer-Tafel Route and Electronic Descriptor to Predict HER\u00a0Activity of Borophene<\/td><\/tr>
Sourav Mal<\/td>Machine Learning assisted design of new magnetic materials<\/td><\/tr>
Sourav Rudra<\/td>Strain-induced Hole Mobility Enhancement in p-type ScN from First-principles<\/td><\/tr>
Sucheta Swetlana<\/td>Development of Vickers hardness prediction models via microstructural quantification and machine learning approaches   <\/td><\/tr>
Supriya Ghosal<\/td>Novel structures of germa-graphene: Potential candidates for electronic and transport applications<\/td><\/tr>
Surabhi<\/td> TBA<\/td><\/tr>
Surajit Adhikari<\/td>Theoretical Insight of Cs2<\/sub>MSbX6<\/sub> (M = Cu, Ag, Na, K, Rb, Cs and X = Cl, Br) Halide Double-Perovskite Materials for Optoelectronic Applications<\/td><\/tr>
Surbhi Ramawat<\/td>The Carrier Mobility of Ultra-Wide Band Gap CaS Monolayer: The First-Principles Calculations<\/td><\/tr>
Tamilmani S<\/td>Mechanistic Investigation of NH3<\/sub> Selective Catalytic Reduction of NO on Molybdenum Doped Iron Oxide Catalyst<\/td><\/tr>
Tanmoy Paul<\/td>Exploring Ion Diffusivity of 3d Transition Metal-Doped Li3<\/sub>YCl6<\/sub> Solid Electrolytes<\/td><\/tr>
Yogesh Verma<\/td>Layer Integrated Toolkit and Engine for Simulations of Photo-induced Phenomena (LITESOPH)<\/td><\/tr><\/tbody><\/table><\/figure>\n","protected":false},"excerpt":{"rendered":"

Abhijith V G Design of an aluminum ion battery with\u00a0 graphyne host: lowest volume expansion, high stability, and low diffusion barriers Agrim Sharma Ab-initio Calculation of Linear Electro-Optic Tensor for Barium titanate Aiswarya Samal Thermal and Electrical Conductivity of Copper-Graphene Heterosystem: An Effect of Strain and Thickness Anita Gemmy Francis Pressure-Induced Topological Phase Transition in … <\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":[],"_links":{"self":[{"href":"https:\/\/nammapsik.iisc.ac.in\/index.php\/wp-json\/wp\/v2\/pages\/185"}],"collection":[{"href":"https:\/\/nammapsik.iisc.ac.in\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/nammapsik.iisc.ac.in\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/nammapsik.iisc.ac.in\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/nammapsik.iisc.ac.in\/index.php\/wp-json\/wp\/v2\/comments?post=185"}],"version-history":[{"count":7,"href":"https:\/\/nammapsik.iisc.ac.in\/index.php\/wp-json\/wp\/v2\/pages\/185\/revisions"}],"predecessor-version":[{"id":208,"href":"https:\/\/nammapsik.iisc.ac.in\/index.php\/wp-json\/wp\/v2\/pages\/185\/revisions\/208"}],"wp:attachment":[{"href":"https:\/\/nammapsik.iisc.ac.in\/index.php\/wp-json\/wp\/v2\/media?parent=185"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}