Prajwal Pisal

collaborators

2 papers

cond-mat.mtrl-sci2026

Selectivity- and Activity-Aware Catalyst Descriptors for CO $_{2}$ Hydrogenation on Alloy Nanocatalysts using Machine-Learned Force Fields

Prajwal Pisal, OndÅej KrejÄÃ, Patrick Rinke

Adsorption energy distributions (AEDs) have emerged as a powerful and increasingly adopted descriptor for catalytic performance in high-entropy alloys and, more recently, in conven…

physics.chem-ph2025

Machine Learning Accelerated Descriptor Design for Catalyst Discovery in CO $_{2}$ to Methanol Conversion

Prajwal Pisal, Ondrej Krejci, Patrick Rinke

Transforming CO $_{2}$ into methanol represents a crucial step towards closing the carbon cycle, with thermoreduction technology nearing industrial application. However, obtaining hig…

Selectivity- and Activity-Aware Catalyst Descriptors for CO2​ Hydrogenation on Alloy Nanocatalysts using Machine-Learned Force Fields

Machine Learning Accelerated Descriptor Design for Catalyst Discovery in CO2​ to Methanol Conversion

Selectivity- and Activity-Aware Catalyst Descriptors for CO $_{2}$ Hydrogenation on Alloy Nanocatalysts using Machine-Learned Force Fields

Machine Learning Accelerated Descriptor Design for Catalyst Discovery in CO $_{2}$ to Methanol Conversion