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Alexei A. Lapkin

university of cambridge

56H指数
356论文数
1.0W被引数
收录论文 146
发表时间
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Enhancing molecular property prediction of transformer models with dual graph representation利用双图表示增强变换器模型的分子性质预测
errNature Communications
IF15.7
err2026-06-27
err0
errOAAI
errShuyuan Zhang; Alexei A. Lapkin
err分享
err收藏
A knowledge graph framework for digital twins of chemical processes化学过程数字孪生的知识图谱框架
errNature Chemical Engineering
IF0
err2026-05-01
err1
PREAI
errZhang, Shuyuan; Zhang, Jiyizhe; Lapkin, Alexei A.
err分享
err收藏
A semantic framework for chemical process digitalisation using ontologies基于本体的化学过程数字化语义框架
errChemical Engineering Journal
IF13.2
err2026-02-18
err0
errOAAI
errShuyuan Zhang; Yong Ren Tan; Cuong Manh Nguyen; Dogancan Karan; Srishti Ganguly; Nicholas Jose; Mei Qi Lim; Shuqiao Guo; Lianlian Jiang; Markus Kraft; Alexei A. Lapkin
err分享
err收藏
Automated DFT-Machine Learning Integration Enables Data-Efficient and Generalizable Feasibility Predictions in Metallaphotoredox sp2–sp3 Cross-Coupling Reactions自动化DFT-机器学习集成实现了在金属光氧化还原sp2–sp3交叉偶联反应中数据高效且具有普适性的可行性预测
errACS Catalysis
IF13.1
err2026-02-10
err0
PREAI
errMichele Assante; Sara Pahlen; Brenda Pijper; Lili Cao; Ole Specht; Nadja Simeth; Alexei Lapkin; Clive Green; Ola Engkvist; Giulia Bergonzini; Mikhail Kabeshov
err分享
err收藏
Autonomous in silico optimization framework for high-performance micromixers高性能微混合器的自主计算机优化框架
errChemical Engineering Journal
IF13.2
err2026-01-13
err0
errOAAI
errXiao Liang; Yue Xie; Jiyizhe Zhang; Wensheng Huang; Boyu Pan; Xin Yee Tai; Jin Xuan; Alexei A. Lapkin; Huizhi Wang
err分享
err收藏
A roadmap toward closed-loop autonomous experimentation for engineered nanomaterials工程纳米材料闭环自主实验的发展路线图
errNature Chemical Engineering
IF0
err2025-10-01
err0
PREAI
errJose, Nicholas A.; Lapkin, Alexei A.
err分享
err收藏
Automated Generation of Mechanistic Models for Chemical Process Digital Twins using Reinforcement Learning - Part II: Compartmentalization and Learning-Based Recalibration基于强化学习的化学过程数字孪生机理模型自动生成 - 第II部分：分区化和学习型校准
errComputers & Chemical Engineering
IF3.9
err2025-09-01
err0
errOAAI
errJan-Frederic Laub; Jiyizhe Zhang; Mathis Heyer; Alexei A. Lapkin
err分享
err收藏
Automated Generation of Mechanistic Models for Chemical Process Digital Twins using Reinforcement Learning Part I: Conceptual Framework and Equation Generation基于强化学习的化学过程数字孪生机理模型自动化生成 第Ⅰ部分：概念框架与方程生成
errComputers & Chemical Engineering
IF3.9
err2025-07-20
err0
errOAAI
errMathis Heyer; Jiyizhe Zhang; Naoto Sugisawa; Jan-Frederic Laub; Alexei A. Lapkin
err分享
err收藏
Beyond Butler-Volmer equation for CO2 electro-reduction on Cu-based gas diffusion electrodes超越Butler-Volmer方程的CO2电还原在Cu基气体扩散电极上的研究
errCHEMICAL ENGINEERING JOURNAL
IF13.2
err2025-06-01
err0
errOAAI
errAdesina, Peace; Ager, Joel W.; Lapkin, Alexei A.
err分享
err收藏
Machine learning-guided space-filling designs for high throughput liquid formulation development
errCOMPUTERS & CHEMICAL ENGINEERING
IF3.9
err2025-04-01
err0
errOAAI
errChitre, Aniket; Semochkina, Daria; Woods, David C.; Lapkin, Alexei A.
err分享
err收藏
Multi-objective reaction optimization under uncertainties using expected quantile improvement
errCOMPUTERS & CHEMICAL ENGINEERING
IF3.9
err2025-03-01
err1
PREAI
errZhang, Jiyizhe; Semochkina, Daria; Sugisawa, Naoto; Woods, David C.; Lapkin, Alexei A.
err分享
err收藏
A Multi Clone Kinetic Model for characterizing Chinese hamster ovary cell line variability一个多克隆动力学模型，用于表征中国仓鼠卵巢细胞系变异性
errJOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY
IF3.2
err2025-01-01
err0
errOAAI
errSietaram, Devi; Kotidis, Pavlos; Finka, Gary; Lapkin, Alexei A.
err分享
err收藏
Life cycle assessment of a process for paracetamol flow synthesis from bio-waste derived β-pinene生物废料衍生的 β-蒎烯对乙酰氨基酚流合成过程的生命周期评估
errSUSTAINABLE CHEMISTRY AND PHARMACY
IF5.8
err2024-08-01
err3
errOAAI
errHallamasek, Sabine; Ubbenjans, Vera; Lapkin, Alexei A.
err分享
err收藏
ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction
errCHEMICAL ENGINEERING JOURNAL
IF13.2
err2024-07-01
err2
errOAAI
errFelton, Kobi C.; Rasspe-Lange, Lukas; Rittig, Jan G.; Leonhard, Kai; Mitsos, Alexander; Meyer-Kirschner, Julian; Knoesche, Carsten; Lapkin, Alexei A.
err分享
err收藏
ORDerly: Data Sets and Benchmarks for Chemical Reaction Data
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-04-22
err6
errOAAI
errWigh, Daniel S.; Arrowsmith, Joe; Pomberger, Alexander; Felton, Kobi C.; Lapkin, Alexei A.
err分享
err收藏
Completing and Balancing Database Excerpted Chemical Reactions with a Hybrid Mechanistic-Machine Learning Approach
errACS OMEGA
IF4.3
err2024-04-10
err2
errOAAI
errZhang, Chonghuan; Arun, Adarsh; Lapkin, Alexei A.
err分享
err收藏
A dynamic knowledge graph approach to distributed self-driving laboratories一种面向分布式自动驾驶实验室的动态知识图谱方法
errNATURE COMMUNICATIONS
IF15.7
err2024-01-23
err12
errOAAI
errBai, Jiaru; Mosbach, Sebastian; Taylor, Connor J.; Karan, Dogancan; Lee, Kok Foong; Rihm, Simon D.; Akroyd, Jethro; Lapkin, Alexei A.; Kraft, Markus
err分享
err收藏
The design and optimization of heterogeneous catalysts using computational methods
errCATALYSIS SCIENCE & TECHNOLOGY
IF4.2
err2024-01-01
err15
errOAAI
errShambhawi; Mohan, Ojus; Choksi, Tej S.; Lapkin, Alexei A.
err分享
err收藏
Multi-objective Bayesian optimisation using q-noisy expected hypervolume improvement (qNEHVI) for the Schotten-Baumann reaction
errREACTION CHEMISTRY & ENGINEERING
IF3.1
err2024-01-01
err10
errOAAI
errZhang, Jiyizhe; Sugisawa, Naoto; Felton, Kobi C.; Fuse, Shinichiro; Lapkin, Alexei A.
err分享
err收藏
A machine learning-enabled process optimization of ultra-fast flow chemistry with multiple reaction metrics具有多个反应指标的超快速流动化学的机器学习过程优化
errREACTION CHEMISTRY & ENGINEERING
IF3.1
err2024-01-01
err7
errOAAI
errKaran, Dogancan; Chen, Guoying; Jose, Nicholas; Bai, Jiaru; Mcdaid, Paul; Lapkin, Alexei
err分享
err收藏

研究方向

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合作学者
合作期刊
M
Matthias Beller
H 指数: 174 · 论文数: 2.2K
D
Daniel F. Hayes
H 指数: 128 · 论文数: 828
G
George W. Huber
H 指数: 126 · 论文数: 681
S
Steven P. Nolan
H 指数: 125 · 论文数: 1.5K
J
Joel W. Ager
H 指数: 122 · 论文数: 909
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