Approaching Human Intelligence through Chemical Systems: Development of Unconventional Chemical Artificial Intelligence.

Pier Luigi Gentili, Konrad Szacilowski, Andrew Adamatzky

Frontiers Media SA

Although human intelligence is deeply investigated by neuroscientists, psychologists, philosophers,...

Science Chemistry Theoretical and Computational Chemistry

Keywords: Chemical Artificial Intelligence,­Chemical Robots,­neuromorphic engineering,­Fuzzy Logic,­Discrete logics

Recent advances in computational modelling of biomolecular complexes

Zhongjie Liang, Adolfo Poma, Kurt Kremer, Kei-ichi Okazaki, Sergio Pantano, Simón Poblete

Frontiers Media SA

Science Chemistry Theoretical and Computational Chemistry

Keywords: coarse-grained method,­machine learning,­multiscale approach,­Biopolymers,­Aggregation

Electronic and nuclear quantum dynamics of molecules in intense laser fields

Yuichi Fujimura, Andre Bandrauk, Leticia González

Frontiers Media SA

Science Chemistry Chemical Physics and Physical Chemistry

Keywords: attosecond pulses,­ring currents,­Intense laser fields,­Quantum control,­coherent electronic and nuclear motions

Photocatalysis and electrocatalysis for energy conversion

Guangzhao Wang, Yue-Yu Zhang, Kezhen Qi, Changhong Wang, Zhaofu Zhang

Frontiers Media SA

Science Chemistry Electrochemistry

Keywords: photocatalysis,­Electrocatalysis,­optoelectronics,­energy conversion,­Pollution treatment

Women in Science: Chemistry 2021

Valeria Conte, Franziska Luise Emmerling, Zoe Pikramenou, Lihong Jing, Kamila Kočí, Xi Chen, Elena Vladimirovna Boldyreva

Frontiers Media SA

Science Astronomy and Space Sciences Astrochemistry

Keywords: Women,­stem,­diversity,­UNESCO,­International Day of Women and Girls in Science,­Chemistry

15 years of the Federation of African Societies of Chemistry (FASC)

Neil Coville, James Darkwa, Marian Asantewah Nkansah, Adebola Omowunmi Oyedeji, Mama El Rhazi

Frontiers Media SA

Science Chemistry Electrochemistry

Keywords: 15th Anniversary,­FASC,­green chemistry,­Chemical Research in Africa,­international collaboration

Many-Body Green’s Functions and the Bethe-Salpeter Equation in Chemistry: From Single Molecules to Complex Systems

Bjoern Baumeier, Patrick Rinke, Linn Leppert, Marc Dvorak, Dorothea Golze

Frontiers Media SA

Science Chemistry Theoretical and Computational Chemistry

Keywords: Electronic excitations,­theoretical spectroscopy,­many-body Green’s function,­Multi-scale modelling,­embedding

Computer-Aided Drug Design: Drug Discovery, Computational Modelling, and Artificial Intelligence

Fei Ye, Zhongjie Liang, Ylvain Broussy

Frontiers Media SA

Science Chemistry Medicinal and Pharmaceutical Chemistry

Keywords: computer-aided drug design,­Lead compound discovery,­Hit optimization,­Allosteric Regulation,­conformational dynamics,­artificial intelligence

Design of Two-Dimensional Functional Materials and Nanodevices

Guangzhao Wang, Xiaotian Wang, Yee Sin Ang, Junjie He, Zhaofu Zhang

Frontiers Media SA

Science Materials

Keywords: 2D materials,­heterostructures,­Nanodevices,­functional materials