Databases of computational results hold high promise for accelerating catalysis research. Still, many challenges remain and consensus on facets such as metadata, reliability and curation is crucial to transform the hype into an attractive technolog
Catalysis is a critical scientific field that underpins much of the world’s chemical industry. For e...
The Catalysis Hub – Swiss CAT+ is a new infrastructure project funded by ETH-domain, co-headed by EP...
Catalysts play an essential role in the daily lives of humans. These catalysts are used in many indu...
Modern research methods produce large amounts of scientifically valuable data. Tools to process and ...
Catalysis research is on the verge of experiencing a paradigm shift regarding how catalysts are desi...
International audienceAutonomous atomistic computations are excellent tools to accelerate the develo...
The explosive growth of computational catalysis over the past two decades is reflected by the expone...
Open science and data are yet to make a real breakthrough and research policies will have a critical...
The slides were created for a workshop at the NFDI Satellite Event at the Joint Conference of Digita...
There is considerable motivation in the catalysis community and chemical industry to envision a futu...
Benchmarking is a community-based and (preferably) community-driven activity involving consensus-bas...
This manuscript outlines the utility and power of our computational catalysis interface. This interf...
Benchmarking is a community-based and (preferably) community-driven activity involving consensus-bas...
Computational chemistry has come of age. With significant strides in computer hardware and software ...
The development of machine learned potentials for catalyst discovery has predominantly been focused ...
Catalysis is a critical scientific field that underpins much of the world’s chemical industry. For e...
The Catalysis Hub – Swiss CAT+ is a new infrastructure project funded by ETH-domain, co-headed by EP...
Catalysts play an essential role in the daily lives of humans. These catalysts are used in many indu...
Modern research methods produce large amounts of scientifically valuable data. Tools to process and ...
Catalysis research is on the verge of experiencing a paradigm shift regarding how catalysts are desi...
International audienceAutonomous atomistic computations are excellent tools to accelerate the develo...
The explosive growth of computational catalysis over the past two decades is reflected by the expone...
Open science and data are yet to make a real breakthrough and research policies will have a critical...
The slides were created for a workshop at the NFDI Satellite Event at the Joint Conference of Digita...
There is considerable motivation in the catalysis community and chemical industry to envision a futu...
Benchmarking is a community-based and (preferably) community-driven activity involving consensus-bas...
This manuscript outlines the utility and power of our computational catalysis interface. This interf...
Benchmarking is a community-based and (preferably) community-driven activity involving consensus-bas...
Computational chemistry has come of age. With significant strides in computer hardware and software ...
The development of machine learned potentials for catalyst discovery has predominantly been focused ...
Catalysis is a critical scientific field that underpins much of the world’s chemical industry. For e...
The Catalysis Hub – Swiss CAT+ is a new infrastructure project funded by ETH-domain, co-headed by EP...
Catalysts play an essential role in the daily lives of humans. These catalysts are used in many indu...