Adarsh V Kalikadien

10PUBLICATIONS
52CO-AUTHORS
Computational chemistryBiomolecular modelling and designChemical and thermal processes in energy and combustion
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Publications (10)

|May 09, 2025
Data-Driven Virtual Screening of Conformational Ensembles of Transition-Metal Complexes.

Sára Finta, Adarsh V Kalikadien, Evgeny A Pidko

|Apr 28, 2025
Impact of Model Selection and Conformational Effects on the Descriptors for In Silico Screening Campaigns: A Case Study of Rh-Catalyzed Acrylate Hydrogenation.

Margareth S Baidun, Adarsh V Kalikadien, Laurent Lefort

|Jan 27, 2024
Paving the road towards automated homogeneous catalyst design.

Adarsh V Kalikadien, Adrian Mirza, Aydin Najl Hossaini

|Mar 28, 2022
ChemSpaX: exploration of chemical space by automated functionalization of molecular scaffold.

Adarsh V Kalikadien, Evgeny A Pidko, Vivek Sinha

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