Adarsh V Kalikadien
10PUBLICATIONS
52CO-AUTHORS
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Publications (10)
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|Feb 18, 2026
Performance of Meta's Universal Model for Atoms across the Conformational and Configurational Space of Diverse Transition-Metal Catalysts.Adarsh V Kalikadien, Evgeny A Pidko
|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
|Aug 30, 2024
Probing machine learning models based on high throughput experimentation data for the discovery of asymmetric hydrogenation catalysts.Adarsh V Kalikadien, Cecile Valsecchi, Robbert van Putten
|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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Frequent Collaborators
6 joint publications
Evgeny A Pidko
4 joint publications
Nicholas David
4 joint publications
Volker L Deringer
4 joint publications
Graeme M Day
4 joint publications
Barnabas A Franklin
4 joint publications
Branko Ruscic
4 joint publications
Annabel Eardley-Brunt
4 joint publications
Christian Kuttner
4 joint publications
Matthew R Ryder
3 joint publications
Christopher M Collins
