toolboannax.blogg.se - Model chemlab

审稿人评价本工作 “This is an exciting news for the community. Jiang*)”, has been accepted for publication in J.

Our paper, “Tunable Hydrogen Doping of Metal Oxide Semiconductors with Acid-Metal Treatment at Ambient Condition, (L.Y.

142 (2020) 7737-7743.审稿人评价本工作 “The findings are novel and interesting, the simulations and neural network protocol are state-of-the-art" 、 "It could be very useful for the design and evaluation of new inhomogeneous catalysts."该工作于日被国家自然科学基金委网站作为重要资助成果报道。 2020年5月Science杂志编辑撰稿专文推荐我们首创的电偶极矩相关描述符（ Science 2020, 368, 727），指出“ The transferability of these models between different heterogeneous systems suggests that the electric dipole moment is a promising new type of catalytic descriptor”。

Our paper, “Electric Dipole Descriptor for Machine Learning Prediction of Catalyst Surface-Molecular Adsorbate Interactions, (X.J.审稿人评价本工作 “report an effective strategy for controlling the polarization-electric field in single transition metal (TM) atom catalysts" 、赞扬我们提出了"an important descriptor in determining the NRR catalytic activity "，而且“presents high novelty and scientific reliability from the of the chemistry and physics point of view” Our paper, “Realizing A Not-Strong-Not-Weak Polarization-Electric Field in Single Atom Catalysts Sandwiched by Boron-Nitride and Graphene Sheets for Efficient Nitrogen Fixation, (S.B.2020年12月Science杂志编辑撰稿专文推荐我们发展的红外光谱机器学习预测方法（ Science 2020, 370, 1178），指出“ Their trained model was able to provide fast and accurate characterization of IR spectra for different proteins under varying conditions”。 142 (2020) 19071-19077 审稿人评价本工作 “ It represents a significant advance in the field and offers a new framework to understand the protein structure and folding aided by artificial intelligence techniques" 、赞扬我们"present an innovative approach that will be of value to a broad community of computational spectroscopists. Our paper, “A Machine Learning Protocol for Predicting Protein Infrared Spectra, (S.143 (2021) 审稿人评价本工作 “ It represents an important advance in the modern field of spin-related catalysis, offering new design strategies of spin manipulation for transition metal single-atom catalysts" 、赞扬我们"present spin moment as a promising catalytic descriptor"。

Our paper, “Electronic Spin Moment as a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C2N, (W.H.(2021) 审稿人评价本工作 “Methods for calculating infrared spectra are in need of development and the author's approach in that regard is quite novel"。 Jiang*)”, has been accepted for publication in Proc Natl Acad Sci USA. Our paper, “AI-based Spectroscopic Monitoring of Dynamic Interactions between SARS-CoV-2 and Human ACE2, (S.(2021) 审稿人评价本工作 "This leads to a secondary structure identification with over 90% accuracies for homologous and non-homologous protein segments which is a remarkable achienvement.", "I believe this work represents significant advances in the field "。

Our paper, “Machine Learning Recognition of Protein Secondary Structures based on Two-Dimensional Spectroscopic Descriptors, (H.