First-principles-based modelling of catalysts is a growing field
and the past decade has seen the range of applications for it
increase. Improvements in computing power and developments in the
areas of machine learning have made many exciting advances
possible. The new edition of Computational Catalysis provides an
update on the contents of the previous edition whilst introducing
new chapters on kinetic Monte Carlo, modelling solvent effects,
machine learning for catalyst modelling and design, and modelling
complex heterogeneous structures. Written to be accessible to
anyone with a familiarity with quantum mechanical methods, this
book is a valuable resource for both early career researchers and
graduate students.
General
| Imprint: |
Royal Society of Chemistry
|
| Country of origin: |
United Kingdom |
| Series: |
Catalysis Series |
| Release date: |
August 2023 |
| First published: |
2023 |
| Editors: |
Aravind Asthagiri
• Michael Janik
|
| Dimensions: |
234 x 156mm (L x W) |
| Format: |
Hardcover - Unsewn / adhesive bound
|
| Pages: |
300 |
| Edition: |
2nd New edition |
| ISBN-13: |
978-1-78801-881-4 |
| Categories: |
Books
Promotions
|
| LSN: |
1-78801-881-8 |
| Barcode: |
9781788018814 |
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