List of participants accepted for oral presentation
There are best oral presentation awards!
| S. No. | Name (Affiliation) | Title |
|---|---|---|
| C1 | Dr. Divya Nayar (IIT Kharagpur) | A Molecular Journey to Free Energy Landscapes of Amyloid Forming α-synuclein Fibrils |
| C2 | Sumit Bawari (TIFR Hyderabad) | Photo-Electro Catalytic Hydrogen Generation using Graphene-hBN Atomic Stacks |
| C3 | Pooja Basera (IIT Delhi) | Stability of non-metal dopants to tune the photo activity of TiO2 anatase: A hybrid DFT study |
| C4 | Tushima Basak (Mithibai College of Arts, Chauhan Institute of Science and Amrutben Jivanlal College of Commerce & Economics, Mumbai, Maharashtra) | Computational study of linear optical properties in diamond-shaped graphene quantum dots |
| C5 | Pratibha Kumari (IIT Delhi) | Effect of Bio-compatible Ionic Liquid-Choline Glycinate on the Structure of Lipid Membranes |
| C6 | Parul Rani Raghuvanshi (IIT Bombay) | Unraveling the thermoelectric properties of Zr0.5Hf0.5YZ (Y = Ni, Co, Pd and Z = Sn, Sb, Bi) half-Heusler alloys |
| C7 | Dr. Vivek Kumar Yadav (IIT Kanpur) | First principles simulation of two-dimensional molecular films for electronic applications |
| C8 | Sushant Kumar Behera (Tezpur University, Tezpur, Assam) | Quantum magneto-transport behaviour and spin-wave dynamics in two dimensional van der Waals heterostructure |
| C9 | Megha (Raja Ramanna Centre of Advanced Technology, Indore, Madhya Pradesh) | Remarkable Structural Effect on the Gold-Hydrogen Analogy in Hydrogen-Doped Gold Cluster |
| C10 | Dr. Tuhin Suvra Khan (IIT Delhi) | In-Silico Screening of Novel Catalysts for Sustainable Future |
| C11 | Dr. Nidhi Katyal (IIT Delhi) | Effect of trehalose on different stages of protein aggregation: in search of its therapeutic potential against neurodegenerative diseases |
| C12 | Mahabir Prasad (Sikkim University, Gangtok, Sikkim) | Understanding Relaxation Dynamics of Supercooled Liquid Water from Molecular Dynamics Simulation |
| C13 | Dr N Meenakshi Sundaram (Vivekananda College, Madurai, Tamil Nadu) | Investigation on the electrical and transport properties of phosphorene antidot nanoribbons for nanoscale applications |
| C14 | Dr. Gourav Shrivastav (Drexel University, Philadelphia, Pennsylvania, United States) | A Climbing Multi-String Method to Map Free-Energy Saddles and Minima |
| C15 | Tanashree (International Institute of Information Technology, Hyderabad, Telangana) | Unraveling the dynamics and energetic events involved in the flipping process of thymine glycol lesion using computational approaches. |
| C16 | Tista Basak (Mukesh Patel School of Technology Management & Engineering, Mumbai, Maharashtra) | Electron correlation effects on non-linear optical properties of diamond-shaped graphene quantum dots |
| C17 | Apramita Chand (National Institute of Science Education and Research, Bhubaneswar) | Microscopic investigations of a model peptide in presence of alcohol and their relevance for cholecystokinin-8: A molecular dynamics simulation study |
| C18 | Ekta (IIT Delhi) | Finite temperature effects in complex metal hydrides: A case study of NaAlH4 |
| C19 | Supreet Kaur (IIT Delhi) | Nanoscale Spatial Heterogeneity in Electrolyte-based Deep Eutectic Solvents: Temperature Dependent Behaviour |
| C20 | Dr. Debdas Dhabal (University of Pennsylvania, Philadelphia, Pennsylvania, United States) | First Order to Second Order Crossover in Dewetting Transition of Water Near Nanostructured Surfaces |
Tentative list of participants accepted for poster presentation
Acceptance letters have been sent. Please email asm2019[at]iitd.ac.in for any clarifications.
The posters should be full A0 size (3' x 4'), portrait layout. The presenting and communicating authors must be clearly indicated
Please send us details of the poster abstract as per this abstract template
There are best poster awards!
| S. No. | Name (Affiliation) | Title |
|---|---|---|
| P1 | Rizwan Nabi (IIT Bombay) | Surface Controlled Magnetic Anisotropy of Lanthanide Double Decker Complexes Acting as SMMs. Does Magnetic Properties Alter Upon Fabrication? |
| P2 | Manish Kumar (IIT Delhi) | Exploring the thermodynamic stability of N-, Mn-doped and Mn-N co-doped SrTiO3 perovskite: A hybrid density functional study |
| P3 | Vikas (IIT Delhi) | Control of Ziegler-Natta catalyst activity by structural design of external donor |
| P4 | Shobhna (IIT Delhi) | A Molecular Dynamics Study to Investigate the Effect of Hydration on the Structure of Reline Deep Eutectic Solvent |
| P5 | Supreet Kaur (IIT Delhi) | Molecular Dynamics Investigation of Structural Morphology of Reline Deep Eutectic Solvent in Bulk and Confinement |
| P7 | Shougaijam Premila Devi (University of Delhi) | Metal-free Nitrene insertion into C-H bond: A DFT calculation |
| P8 | Lokpati Mishra (BARC) | Molecular dynamics and metadynamics study for binding and decorpoartion of plutonium in serum transferrin. |
| P9 | Shivani Rani (IIT Patna) | Sensitivity of adsorbed Inorganic gas molecules on C3N island single electron transistor |
| P10 | Dr Alok Mishra (Institute of Engineering and Technology) | The effect of mutation in vkorc1 on anticoagulant activity of warfarin |
| P11 | Shivam Dubey (IIT Patna) | Effect of Pressure on Translational Diffusion-Viscosity Decoupling in Supercooled Water: Role of Translational Jump motion |
| P12 | Soumya Ranjan Das (IISER Tirupati) | Layer-by-Layer Oxidation Induced Electronic Properties in Transition- Metal Dichalcogenides |
| P13 | Sai Raj Ali (Jamia Millia Islamia) | A DFT study on CO oxidation over Cobalt (111) surface |
| P14 | Nidhi Sorout (IIT Kanpur) | Effects of Boron Nitride Nanotube on the Secondary Structure of Aβ(1-42) Trimer: Inhibitory Effect on Amyloid Formation |
| P15 | Deepika (IIT Kanpur) | Molecular Simulations of Structure, Dynamics and Spectral Properties of Aqueous Solutions using Polarizable Forcefields |
| P17 | Bhawna Sahni (IIT Bombay) | 8-electron Half-Heusler compounds as promising energy materials: A high throughput first principles study |
| P18 | Apurva Sinha (IIT Patna) | The structural model of graphene oxide |
| P20 | Iqra Reyaz Hamdani (IIT Delhi) | Electrodeposited homogeneous Cu2O p-n junction for efficient solar water splitting |
| P21 | Jiban Kangsabanik (IIT Bombay) | Alloyed halide double perovskites: next promising materials as solar absorbers |
| P22 | Bhupendra R Dandekar (TIFR Hyderabad ) | Study of Protein Ligand Binding Using Coarse Grain Simulations |
| P23 | Shakkira E (IIT Patna) | Checking Compatibility of Different Model of Water with a United Atom Model of Lipid Membrane |
| P24 | Vikas Dubey (IIT Patna) | Effect of Pressure on Translational Diffusion-Viscosity Decoupling in Supercooled Water: Role of Translational Jump motion |
| P26 | Abhinav Gupta (IIT Kanpur) | Efficient Exploration of High Dimensional Free Energy Landscapes Employing Parallel Bias Temperature Accelerated Sliced Sampling (PBTASS) Approach. |
| P27 | Harender Singh Dhattarwal (IIT Delhi) | Wetting and de-wetting behavior of carbon based electrode materials by imidazolium based ionic liquid: Role of solvophilicity and flexibility |
| P28 | Sudarsan Karki (Sikkim University) | Monte Carlo Simulation Study of Hydrogen Storage in Porous Carbon Materials |
| P29 | Mohan Tiwari (IIT Roorkee) | Reduction of SO2 by CO on CnAun (n=4, 8 and 16) Clusters: A Computational Study |
| P30 | Aritri Biswas (IIT Hyderabad) | Ultrafast Dynamics near an Anion in the Aqueous Solutions of Ionic Liquids |
| P31 | Adyasa Priyadarsini (IIT Hyderabad) | A theoretical aspect of mechanism of proton transfer from water to aromatic heterocyclic anions in microsolvated state and aqueous state as well as effect of substitution on them |
| P32 | Manoar Hossain (NISER) | First Principle Calculations of Hybrid Graphene and Hexagonal Boron Nitride Structures for Supercapacitor Electrode Applications |
| P33 | Rashmi (IIT Kanpur) | Ligand induced stabilization of native and non-native phases of MnSe |
| P34 | Chandan Kumar Vishwakarma (IIT Delhi) | Atomistic Simulations of Phase Transition Properties of Pb(Zr1-xTix)O3 at Finite Temperatures |
| P35 | Shilpa Sharma (IIT Delhi) | Effect of fALS linked G85R mutation on Structure of Superoxide Dismutase 1 (SOD1) |
| P36 | Arup Sarkar (IIT Bombay) | Observation of First Order Spin-Orbit Coupling in Trigonal Bi-pyramidal Mononuclear NiII Complex |
| P38 | Vikram (IIT Bombay) | Mgi2Si1-xSnx codoped with Bi and Cr : Enhanced thermoelectric performance and effect on magnetic order. |
| P39 | Sourav Dey (IIT Bombay) | Role of Covalency in Influencing the Magnetic Anisotropy in Uranium Molecular Magnets |
| P40 | Ravi Kumar (IIT Bombay) | Axial vs. Equatorial Ligand Rivalry in Controlling the Reactivity of Iron(IV)-Oxo Species: Single-State vs. Two-State Reactivity |
| P41 | Rohit Modee (International Institute of Information Technology) | Cosolvents Effect on Protein (Un)Folding Equilibrium. |
| P42 | Meenakshi Malakar (Assam University) | Carbon nanotube (CNT) as a free radical scavenger- A DFT Study |
| P43 | Leena Aggarwal (University of Delhi) | Effect of Mutations on Hydration Environment of Amyloid-β |
| P44 | Supriti Ghorui (IIT Bombay) | Organic-Inorganic Mixed Valenced Halides as Promising Photovoltaic Absorber : M2Au2X6; M=Cs, FA, MA; X=I, Br, Cl |
| P46 | Shashikana Paria (University of Calcutta) | Tetragonal graphene nanodot as carbon monoxide gas sensor and current rectification device |
| P47 | Ekta (IIT Delhi) | Role of temperature and pressure to the thermodynamic stability of charged defects in complex metal hydrides: A case study of NaAlH4 |
| P48 | Shikha Saini (IIT Delhi) | Unraveling the role of structure, electronic property and charge state on the catalytic activity of bi-metallic clusters at realistic conditions |
| P49 | Mayuri Bora (Tezpur University) | Proximity Effect Induced Spin Injection in Semimetal on Magnetic Insulator based Two Dimensional Heterostructure |
| P50 | Mahammad Mustakim (NISER Bhubaneswar) | Dynamics of Binary Colloids in a Periodic Potential |
| P51 | Aditya Gupta (IIT Delhi) | Effect of Change in Composition of the Mixture of Bio-compatible Ionic Liquid Cholinium Glycinate and Water on its Structural Organization and Microscopic Dynamics |
| P52 | Arunima Singh (IIT Delhi) | The crucial role of Many-body van der Waal interaction in Understanding the Stability of Point Defects in monolayer MoS2 |
| P53 | Nishant Kumar (IIT Patna) | Molecular dynamics underlying the self-assembly of imidazolium triphenylene liquid crystal molecules |
| P55 | Ankit Kargeti (BML Munjal University) | Quantum chemical computation of n-type semiconductor based on fluorinated anthracene for organic solar cell applications |
| P56 | Subhasish Mallick (Malaviya National Institute of Technology Jaipur) | Impact of Post-CCSD (T) Corrections on Reaction Energetics and Rate Constants of OH•+HCl Reaction |
| P59 | Shagun Nag (Panjab University) | Mn3X (X= C, Ge, Pb, Sn) Heusler Alloys: An ab initio study of their structural, electronic and magnetic properties |
| P60 | Ashwini Mali (Savitribai Phule Pune University) | Molecular Dynamics simulation study of interaction of Ru-complex and calf thymus DNA |
| P61 | Sumana Gop (Bose Institute) | Bonding of metal nanoparticles with DNA Base (Adenine) in gas and solvent phase using density functional theory |
| P63 | Ranjan Sutradhar (Bose Institute) | Interactions of WC Adenine base with Au, Ag nanoparticles: A DFT Study |
| P64 | Sheeba Malik (IIT Jodhpur) | Structure and Dynamics of Water upon Supercooling |
| P65 | Jagrity Chaudhary (BITS Pilani) | Reliable prediction of optical spectra via optimal tuning of range separated hybrid functionals |
| P66 | Aanchal Rawat (HNB Garhwal University ) | Ferroelectric properties of hydrogen bonded order-disorder ferroelectric crystals |
| P67 | Jyotirmoy Deb (Assam University) | Characterizing the sensitivity of bonds to the curvature of carbon nanotubes |
| P68 | Pritam Bhattacharyya (IIT Bombay) | First principles electron-correlated calculations of linear optical absorption spectra in silicon hydrides: Si2H2n (n = 1 - 3) |
| P69 | Venkataramana Imandi (IIT Delhi) | Effect of Surface Ni on Oxygen Reduction Reaction in Dealloyed Nanoporous Pt-Ni |
| P70 | Neetu Singh Yadav (IIT Delhi) | Simulation Based Approach for Determining Membrane Permeability of Anticancer Drugs |
| P71 | Sonit Balyan (IIT Delhi) | Mechanistic Study on Non-Oxidative Methane Dehydrogenation and C-C Coupling for Ethylene Formation |
| P72 | Ravinder (IIT Delhi) | Two-Dimensional Glass Transition in Graphene: Insights from Molecular Simulations |
| P73 | Pooja Basera (IIT Delhi) | Understanding thermodynamic stability of charged defects in TiO2 anatase: A comparative study of hybrid DFT, GW and BSE to explore optical properties |
Awards
Contributed Talk
(for Ph. D. Scholars only)
2 Awards from ASM2019
Poster
5 Awards from ASM2019
&
5 Awards from Royal Society of Chemistry, London, UK
