Tarak Karmakar

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 33

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Accounts of chemical research

Journal of chemical information and modeling

Università della Svizzera Italiana

Jawaharlal Nehru Centre for Advanced Scientific Research (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Università della Svizzera Italiana Feb 06 2017

Switzerland

Postdoctoral research :: Faculty of Informatics

ETH Zurich

Switzerland

Postdoc :: Department of Chem. & Appl. Biosc.

Education History

Jawaharlal Nehru Centre for Advanced Scientific Research

India

PHD :: Chemistry and Physics of Materials Unit

Publications

Tarak Karmakar, Thereza A Soares, Kenneth M Merz
Enhancing Coarse-Grained Models through Machine Learning. Journal of chemical information and modeling 64 (8) (2024)
Daksh Singh Davas, Dinesh Kumar Gopalakrishnan, Sandeep Kumar, null Anmol, Tarak Karmakar, Janakiram Vaitla
Visible Light-Promoted Regioselective Benzannulation of Vinyl Sulfoxonium Ylides with Ynoates. JACS Au 4 (3) (2024)
Daksh Singh Davas, Dinesh Kumar Gopalakrishnan, Sandeep Kumar, null Anmol, Tarak Karmakar, Janakiram Vaitla
Visible Light-Promoted Regioselective Benzannulation of Vinyl Sulfoxonium Ylides with Ynoates. JACS Au 4 (3) (2024)
Tarak Karmakar, Thereza A Soares, Kenneth M Merz
Enhancing Coarse-Grained Models through Machine Learning. Journal of chemical information and modeling 64 (8) (2024)
Anushna Bhattacharyya, Vikas Tiwari, Tarak Karmakar
Electrostatic-Driven Self-Assembly of Janus-like Monolayer-Protected Metal Nanoclusters. The journal of physical chemistry letters 15 (3) (2024)
Vikas Tiwari, Anushna Bhattacharyya, Tarak Karmakar
A molecular dynamics study on the ion-mediated self-assembly of monolayer-protected nanoclusters. Nanoscale 16 (32) (2024)
Vikas Tiwari, Anushna Bhattacharyya, Tarak Karmakar
A molecular dynamics study on the ion-mediated self-assembly of monolayer-protected nanoclusters. Nanoscale (2024)
null Neha, Tarak Karmakar
Study of the solvent-dependent crystal shape of theophylline using constant chemical potential molecular dynamics simulations. Physical chemistry chemical physics : PCCP (2024)
null Anmol, Tarak Karmakar
Unveiling the Role of Solvent in Solution Phase Chemical Reactions using Deep Potential-Based Enhanced Sampling Simulations. The journal of physical chemistry letters (2024)
Vansh Ramani, Tarak Karmakar
Graph Neural Networks for Predicting Solubility in Diverse Solvents Using MolMerger Incorporating Solute-Solvent Interactions. Journal of chemical theory and computation 20 (15) (2024)
null Neha, Manya Aggarwal, Aashutosh Soni, Tarak Karmakar
Polymorph-Specific Solubility Prediction of Urea Using Constant Chemical Potential Molecular Dynamics Simulations. The journal of physical chemistry. B (2024)
Anushna Bhattacharyya, Vikas Tiwari, Tarak Karmakar
Electrostatic-Driven Self-Assembly of Janus-like Monolayer-Protected Metal Nanoclusters. The journal of physical chemistry letters (2024)
Vansh Ramani, Tarak Karmakar
Graph Neural Networks for Predicting Solubility in Diverse Solvents Using MolMerger Incorporating Solute-Solvent Interactions. Journal of chemical theory and computation (2024)
Tarak Karmakar, Thereza A Soares, Kenneth M Merz
Enhancing Coarse-Grained Models through Machine Learning. Journal of chemical information and modeling 64 (8) (2024)
Vikas Tiwari, Tarak Karmakar
Understanding Molecular Aggregation of Ligand-Protected Atomically-Precise Metal Nanoclusters. The journal of physical chemistry letters (2023)
Tarak Karmakar, Aaron R Finney, Matteo Salvalaglio, A Ozgur Yazaydin, Claudio Perego
Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations. Accounts of chemical research 56 (10) (2023)
Monika Chaudhary, Mrinal Kanti Adak, null Dhananjay, Nidhi Kumari, Avinava Kundu, Hirak Kumar Basak, Tarak Karmakar, Biswarup Chakraborty
Elucidating the Role of Atomically Dilute Copper Centers Impregnating a Phosphamide Polymer for the Preferential Hydrogen Evolution Reaction over CO 2 Reduction. Inorganic chemistry (2023)
Monika Chaudhary, Mrinal Kanti Adak, null Dhananjay, Nidhi Kumari, Avinava Kundu, Hirak Kumar Basak, Tarak Karmakar, Biswarup Chakraborty
Elucidating the Role of Atomically Dilute Copper Centers Impregnating a Phosphamide Polymer for the Preferential Hydrogen Evolution Reaction over CO 2 Reduction. Inorganic chemistry 63 (1) (2023)
Tarak Karmakar, Aaron R Finney, Matteo Salvalaglio, A Ozgur Yazaydin, Claudio Perego
Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations. Accounts of chemical research 56 (10) (2023)
Arti Sharma, Soumya Mondal, Tripti Ahuja, Tarak Karmakar, Soumik Siddhanta
Ion-Mediated Protein Stabilization on Nanoscopic Surfaces. Langmuir : the ACS journal of surfaces and colloids (2023)
Divij Ramesh Nalge, Tarak Karmakar, Saswata Bhattacharya, Krishna Bharadwaj Balasubramanian
Thermodynamic Window for Size-Controlled Pore Formation in Graphene for Large-Scale Molecular Sieves. The journal of physical chemistry letters (2023)
Swati Jain, Anmol, Ruchi Sharma, Tarak Karmakar, M Ramu Yadav
Cu(I)/ N,N -Imine Ligand Catalyzed C(sp 3 )-C(sp) Coupling of Alkyl Bromides with Alkynes: Scope and Mechanistic Investigation. Organic letters (2023)
Tarak Karmakar, Aaron R Finney, Matteo Salvalaglio, A Ozgur Yazaydin, Claudio Perego
Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations. Accounts of chemical research 56 (10) (2023)
Sanjay Singh, Sankalan Mondal, Vikas Tiwari, Tarak Karmakar, Chinmoy Kumar Hazra
Cooperative Friedel-Crafts Alkylation of Electron-Deficient Arenes via Catalyst Activation with Hexafluoroisopropanol. Chemistry (Weinheim an der Bergstrasse, Germany) (2023)
Tarak Karmakar, Aaron R Finney, Matteo Salvalaglio, A Ozgur Yazaydin, Claudio Perego
Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations. Accounts of chemical research (2023)
Vikas Tiwari, Sonali Garg, Tarak Karmakar
Insights into the Interactions of Peptides with Monolayer-Protected Metal Nanoclusters. ACS applied bio materials (2023)
null Neha, Vikas Tiwari, Soumya Mondal, Nisha Kumari, Tarak Karmakar
Collective Variables for Crystallization Simulations-from Early Developments to Recent Advances. ACS omega 8 (1) (2022)
null Neha, Vikas Tiwari, Soumya Mondal, Nisha Kumari, Tarak Karmakar
Collective Variables for Crystallization Simulations-from Early Developments to Recent Advances. ACS omega 8 (1) (2022)
Anu Dalal, Tushar Kushwaha, Gourav Choudhir, Krishna K Inampudi, Tarak Karmakar, Hariprasad P, Shivajirao L Gholap
Computational investigations on the potential role of hygrophorones as quorum sensing inhibitors against LasR protein of Pseudomonas aeruginosa . Journal of biomolecular structure & dynamics (2022)
Zoran Bjelobrk, Ashwin Kumar Rajagopalan, Michele Parrinello, Tarak Karmakar, Michele Parrinello, Marco Mazzotti
Solubility of Organic Salts in Solvent-Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach. Journal of chemical theory and computation 18 (8) (2022)
Narjes Ansari, Tarak Karmakar, Michele Parrinello
Molecular Mechanism of Gas Solubility in Liquid: Constant Chemical Potential Molecular Dynamics Simulations. Journal of chemical theory and computation 16 (8) (2020)
Tarak Karmakar, Pablo M Piaggi, Michele Parrinello
Molecular Dynamics Simulations of Crystal Nucleation from Solution at Constant Chemical Potential. Journal of chemical theory and computation 15 (12) (2019)
Tarak Karmakar, Pablo M Piaggi, Claudio Perego, Michele Parrinello
A Cannibalistic Approach to Grand Canonical Crystal Growth. Journal of chemical theory and computation 14 (5) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Tarak Karmakar