2010-2015  上海交通大學(xué)    博士
2006-2010  南京師范大學(xué)    學(xué)士

2022.1-至今        上海交通大學(xué)  熱能工程研究所  副教授，博士生導(dǎo)師
2019.2-2021.12  上海交通大學(xué)  熱能工程研究所  助理教授，博士生導(dǎo)師
2015.12-2019.1  上海交通大學(xué)  核科學(xué)與技術(shù)流動(dòng)站   博士后研究員

1. 基于可解釋機(jī)器學(xué)習(xí)的催化材料高通量篩選；催化是能源與環(huán)境領(lǐng)域的核心科學(xué)技術(shù)，高效催化材料的開發(fā)是推動(dòng)相關(guān)技術(shù)變革的關(guān)鍵。該方向旨在融合高通量計(jì)算、人工智能與計(jì)算化學(xué)，建立一個(gè)高效、智能且可解釋的催化材料設(shè)計(jì)與篩選平臺。追求“知其然”——利用機(jī)器學(xué)習(xí)模型從海量數(shù)據(jù)中快速預(yù)測出高性能催化材料候選者；更追求“知其所以然”——借助可解釋人工智能技術(shù)，深入解讀機(jī)器學(xué)習(xí)模型做出決策的內(nèi)在邏輯，揭示影響催化性能（如活性、選擇性、穩(wěn)定性）的關(guān)鍵物理描述符和深層構(gòu)效關(guān)系，為催化劑的理性設(shè)計(jì)和優(yōu)化提供直接的科學(xué)指導(dǎo)。

2. 復(fù)雜熱力過程的高保真數(shù)值模擬及流程優(yōu)化；在能源動(dòng)力、化工冶金等核心工業(yè)領(lǐng)域，諸如燃燒、傳熱、多相流、化學(xué)反應(yīng)等復(fù)雜熱力過程是能量轉(zhuǎn)換與利用的核心，其性能直接決定了系統(tǒng)的效率、排放與可靠性。該方向致力于運(yùn)用高保真數(shù)值模擬與智能優(yōu)化算法，實(shí)現(xiàn)從現(xiàn)象描述到機(jī)理洞察、再到設(shè)計(jì)優(yōu)化的跨越。追求模擬的“高保真度”——采用大規(guī)模計(jì)算流體力學(xué)（CFD）等手段，精準(zhǔn)刻畫湍流、反應(yīng)、輻射等多物理場耦合的瞬態(tài)細(xì)節(jié)；追求“創(chuàng)造價(jià)值”——深度融合機(jī)器學(xué)習(xí)與優(yōu)化理論，對復(fù)雜能源系統(tǒng)或工業(yè)流程進(jìn)行智能分析、協(xié)同優(yōu)化與創(chuàng)新設(shè)計(jì)，為實(shí)現(xiàn)“雙碳”目標(biāo)下的能源高效清潔利用提供核心關(guān)鍵技術(shù)。

3. 化學(xué)反應(yīng)機(jī)理的開發(fā)、優(yōu)化、更新及評價(jià)；燃燒是能源利用的核心過程，其精確模擬對設(shè)計(jì)高效清潔的動(dòng)力裝置至關(guān)重要。而燃燒反應(yīng)機(jī)理——描述燃料如何從分子破碎、重組直至最終產(chǎn)物的多通道反應(yīng)路徑——是燃燒化學(xué)反應(yīng)模擬的物理化學(xué)基礎(chǔ)。該方向旨在深入燃燒反應(yīng)動(dòng)力學(xué)的核心，致力于第一性原理計(jì)算、分子反應(yīng)動(dòng)力學(xué)計(jì)算相結(jié)合，開展從微觀反應(yīng)路徑探索到宏觀性質(zhì)的預(yù)測研究，開發(fā)煤摻氫、氨、醇類多元異質(zhì)混合燃料燃燒反應(yīng)機(jī)理，注重發(fā)展先進(jìn)的機(jī)理縮減、優(yōu)化與驗(yàn)證方法論，為新一代電力技術(shù)的發(fā)展奠定理論基礎(chǔ)。

4. 煙氣二氧化碳高效捕集/利用理論與技術(shù)；應(yīng)對氣候變化、實(shí)現(xiàn)“雙碳”目標(biāo)是國家重大戰(zhàn)略需求。火力發(fā)電、鋼鐵水泥等工業(yè)過程排放的煙氣是二氧化碳的主要集中排放源，發(fā)展經(jīng)濟(jì)高效的碳捕集、利用與封存（CCUS）技術(shù)是邁向碳中和的必由之路。該方向致力于融合新型材料創(chuàng)制與過程工程強(qiáng)化，開展從分子尺度到工業(yè)尺度的二氧化碳捕集與轉(zhuǎn)化利用創(chuàng)新理論與技術(shù)研究。

課題組常年招收本科生、碩士生以及博士生，歡迎具有能動(dòng)、材料、化學(xué)等專業(yè)背景的學(xué)生聯(lián)系，有第一性原理計(jì)算，材料合成，動(dòng)力學(xué)模型開發(fā)等基礎(chǔ)的同學(xué)優(yōu)先，歡迎郵件聯(lián)系zhanghai@sjtu.edu.cn。

《鍋爐技術(shù)》青年編委；

《潔凈煤技術(shù)》青年編委；
中國動(dòng)力工程學(xué)會青年委員會；
國家自然科學(xué)基金青年&面上項(xiàng)目通訊評議；
國家自然科學(xué)基金國際合作項(xiàng)目通訊評議；
國家研究生學(xué)位論文評審。

主持項(xiàng)目：
2023-2026 國家自然科學(xué)基金面上項(xiàng)目，氨煤摻混燃燒焦炭活性位共振及其對NO生成與還原的影響機(jī)制研究, 主持
2023-2026  科技部重點(diǎn)研發(fā)計(jì)劃子課題，摻氨燃料低污染穩(wěn)定燃燒技術(shù)及控制策略，主持
2024-2026  科技部重點(diǎn)研發(fā)計(jì)劃子課題，工業(yè)級加壓富氧燃燒運(yùn)行優(yōu)化及其反饋調(diào)節(jié)技術(shù)，主持
2023-2024  低碳靈活新型煤電國家重點(diǎn)實(shí)驗(yàn)室開放課題，煤粉摻氨高效清潔燃燒技術(shù)研究，主持
2019-2021 國家自然科學(xué)基金青年項(xiàng)目，富氧燃燒模式下基于煤焦表面特征結(jié)構(gòu)電子效應(yīng)的NO非均相轉(zhuǎn)化機(jī)理，主持
2021-2024 上海市自然科學(xué)基金面上項(xiàng)目，多尺度耦合計(jì)算的煤燃燒氮氧化物鏈?zhǔn)缴蓹C(jī)理研究，主持
2016-2018 中國博士后面上基金一等資助，基于自由基取代定位效應(yīng)的煤氮環(huán)境變異及選擇性定向遷移，主持
2024-2025   上海外高橋第三發(fā)電有限責(zé)任公司，鍋爐四大管道結(jié)構(gòu)及應(yīng)力分析，主持
2023-2024  中國船舶重工集團(tuán)公司第七一一研究所，石油焦基本特征及資源化利用研究，主持
2022-2023  上海市經(jīng)濟(jì)和信息化委員會，碳捕集利用與封存技術(shù)路徑比較研究，主持
2022-2023  上海發(fā)電設(shè)備成套設(shè)計(jì)研究院，燃煤機(jī)組協(xié)同處置含碳廢棄物關(guān)鍵技術(shù)研發(fā)及應(yīng)用，主持
2021-2022 歐薩斯能源環(huán)境設(shè)備有限公司，HRSG鍋爐流場及溫度場模擬仿真計(jì)算，主持
2019-2021 上海交通大學(xué)雙一流學(xué)科建設(shè)項(xiàng)目，主持
2022-2024 上海交通大學(xué)研究生專業(yè)前沿課程建設(shè)項(xiàng)目，《低碳能源技術(shù)》，主持
主參項(xiàng)目：
2021-2024 國家自然科學(xué)基金面上項(xiàng)目，基于大分子聚集態(tài)定向調(diào)控的燃煤超低NOx生成機(jī)理，主參
2019-2029 江蘇一品環(huán)保科技有限公司，污泥高效潔凈焚燒技術(shù)開發(fā)與應(yīng)用，主參
2018-2021 國家自然科學(xué)基金面上項(xiàng)目，基于瞬態(tài)中間體識別的多尺度超細(xì)煤粉大分子網(wǎng)絡(luò)模型構(gòu)建及其熱轉(zhuǎn)化分子機(jī)理研究，主參
2014-2016 國家自然科學(xué)基金青年項(xiàng)目：超細(xì)煤粉基于自由基反應(yīng)路徑的氮轉(zhuǎn)化通道競爭機(jī)制研究，主參

First-authored
1.Hai Zhang, Lei Luo, Jiaxun Liu, Anyao Jiao, Jianguo Liu, Xiumin Jiang. Theoretical study on the reduction reactions from solid char(N): the effect of the nearby group and the high-spin state. Energy 2019 https://doi.org/10.1016/j.energy.2019.116286
2.Hai Zhang, Xiumin Jiang, Jiaxun Liu, Jianguo Liu. Theoretical study on the reactions originating from solid char(N): Radical preference and possible surface N2 formation reactions. Industrial Engineering Chemistry Research 2019; 58: 18021-18026.
3.Hai Zhang, Jiaxun Liu, Jianguo Liu, Lei Luo, Xiumin Jiang. DFT study on the alternative NH3 formation path and its functional group effect. Fuel 2018; 214: 108-114.
4.Hai Zhang, Jiaxun Liu, Xiaoye Wang, Lei Luo, Xiumin Jiang. DFT study on the C(N)-NO reaction with isolated and contiguous active sites. Fuel 2017; 203: 715-724.
5.Hai Zhang, Xiaoye Wang, Lei Luo, Jiaxun Liu, Xiumin Jiang. First principles investigation on the two-state reactivity of N-exposure during coal combustion. Fuel 2017; 190: 21-31.
6.Hai Zhang, Jiaxun Liu, Xiaoye Wang, Xiumin Jiang. Density functional theory study on two different oxygen enhancement mechanisms during NO-char interaction. Combustion and Flame 2016; 169: 11-18.
7.Hai Zhang, Jiaxun Liu, Jun Shen, Xiumin Jiang. Thermodynamic and kinetic evaluation of the reaction between NO (nitric oxide) and char(N) (char bound nitrogen) in coal combustion. Energy 2015; 82: 312-321.
8.Hai Zhang, Xiumin Jiang, Jiaxun Liu, Jun Shen. Application of density functional theory to the nitric oxide heterogeneous reduction mechanism in the presence of hydroxyl and carbonyl groups. Energy Conversion and Management 2014; 83: 167-176.
9.Hai Zhang, Xiumin Jiang, Jiaxun Liu, Jun Shen. New insights into the heterogeneous reduction reaction between NO and char-bound nitrogen. Industrial Engineering Chemistry Research 2014; 53: 6307-6315.
10.Hai Zhang, Xiumin Jiang, Jiaxun Liu, Jun Shen. Theoretical study on the specific role of superfine char surface oxygen-NO consumption mechanism. Powder Technology 2013; 249: 82-88.
11.Hai Zhang, Jiaxun Liu, Jun Shen, Xiumin Jiang. A combined experimental and theoretical study of micronized coal reburning. Frontiers in Energy 2013; 7: 119-126.
12.Hai Zhang, Jian Pu, Xiaocheng Zhang. A model for predicting vacuum in the condenser based on Elman neural network by using particle swarm optimization algorithm (in Chinese). Thermal Power Generation, 2010, 39(4): 7-11.
13.Hai Zhang, Jian Pu. Prediction of coal slurry concentration based on PSO-BP neural networks (in Chinese). Gas Turbine Technology, 2009, 22(2): 42-46.
14.Hai Zhang, Jian Pu, Xiaocheng Zhang. A optimizing sequencing of compressor vanes based on simulated annealing partheno genetic algorithm (in Chinese). Gas Turbine Technology, 2009, 22(4): 49-53.
15.Hai Zhang, Xiaocheng Zhang, Bicui Ye, Yaqi Liu. Research on optimizing algorithm for nonlinear optimization model for blending power coal (in Chinese). Coal Preparation Technology, 2009, 5: 57-60.
Co-authored:
16.Lei Luo, Hai Zhang, Anyao Jiao, Yuanzhen Jiang, Jiaxun Liu, Xiumin Jiang, Feng Tian. Study on the formation and dissipation mechanism of gas phase products during rapid pyrolysis of superfine pulverized coal in entrained flow reactor. Energy 2019; 173: 985-994.
17.Jun Shen, Hai Zhang, Jiaxun Liu, Lei Luo, Sha Wang, Bin Chen, Xiumin Jiang. Density functional and experimental study of NO/O2 on zigzag char. Journal of Environmetal Science 2020; 88: 283-291.
18.Anyao Jiao, Hai Zhang, Jiaxun Liu, Xiumin Jiang. Quantum chemical and kinetics calculations for the NO reduction with char(N): Influence of the carbon monoxide. Combustion and Flame 2018; 196: 377-385.
19.Anyao Jiao, Hai Zhang, Jiaxun Liu, Jun Shen, Xiumin Jiang. The role of CO played in the nitric oxide heterogeneous reduction: A quantum chemistry study. Energy 2017; 141: 1538-1546.
20.Jiaxun Liu, Hai Zhang, Jianguo Liu, Xiumin Jiang. Comminution theory of superfine pulverized coal based on fractal analysis of aggregate structures. Energy and Fuels 2016; 30: 10244-10252.
21.Lei Luo, Jiaxun Liu, Hai Zhang, Junfang Ma, Xiaoye Wang, Xiumin Jiang. TG-MS-FTIR study on pyrolysis behavior of superfine pulverized coal. Journal of Analytical and Applied Pyrolysis 2017; 128: 64-74.
22.Jun Shen, Jiaxun Liu, Hai Zhang, Xiumin Jiang. NOx emission characteristics of superfine pulverized anthracite coal in air-staged combustion. Energy Conversion and Management 2013; 74: 454-461.
23.Jun Shen, Jiaxun Liu, Yanfeng Xing, Hai Zhang, Lei Luo, Xiumin Jiang. Application of TG-FTIR analysis to superfine pulverized coal. Journal of Analytical and Applied Pyrolysis 2018; 133: 154-161.
24.Lei Luo, Wang Yao, Jiaxun Liu, Hai Zhang, Junfang Ma, Xiumin Jiang. Evolution of NOx precursors of superfine pulverized coal with a fixed bed in N2 and CO2. Fuel 2018; 234: 263-275.
25.Lei Luo, Wang Yao, Jiaxun Liu, Hai Zhang, Junfang Ma, Xiumin Jiang. The effect of the grinding process on pore structures, functional groups and release characteristic of flash pyrolysis of superfine pulverized coal. Fuel 2019; 235: 1337-1346.
26.Jiaxun Liu, Junfang Ma, Lei Luo, Hai Zhang, Xiumin Jiang. Pyrolysis of superfine pulverized coal. Part 5. Thermogravimetric analysis. Energy Conversion and Management 2017; 154: 491-502.
27.Jiaxun Liu, Xiumin Jiang, Yuchen Zhang, Hai Zhang, Lei Luo, Xiaoye Wang. Size segregation behavior of heavy metals in superfine pulverized coal using synchrotron radiation-induced X-ray fluorescence. Fuel 2016; 181: 1081-1088.
28.Lei Luo, Jiaxun Liu, Yuchen Zhang, Hai Zhang, Junnfang Ma, Yulong You, Xiumin Jiang. Application of small angle X-ray scattering in evaluation of pore structure of superfine pulverized coal/char. Fuel 2016; 185: 190-198.
29.Jiaxun Liu, Lei Luo, Junfang Ma, Hai Zhang, Xiumin Jiang. Chemical Properties of Superfine Pulverized Coal Particles. 3. Nuclear Magnetic Resonance Analysis of Carbon Structural Features. Energy and Fuels 2016; 30: 6321-6329.
30.Jiaxun Liu, Xiumin Jiang, Jun Shen, Hai Zhang. Influences of particle size, ultraviolet irradiation and pyrolysis temperature on stable free radicals in coal. Powder Technology 2015; 272: 64-74.
31.Jiaxun Liu, Xiumin Jiang, Jun Shen, Hai Zhang. Pyrolysis of superfine pulverized coal. Part 3. Mechanisms of nitrogen-containing species formation. Energy Conversion and Management 2015; 94: 130-138.
32.Jun Shen, Jiaxun Liu, Junfang Ma, Hai Zhang, Xiumin Jiang. Parametric study of reburning of nitrogen oxide for superfine pulverized coal. Energy Conversion and Management 2015; 89: 825-832.
33.Jiaxun Liu, Xiumin Jiang, Jun Shen, Hai Zhang. NO emissions from oxidizer staged combustion of superfine pulverized coal in the O2/CO2 atmosphere. Energy and Fuels 2014; 28: 5497-5504.
34.Jiaxun Liu, Xiumin Jiang, Jun Shen, Hai Zhang. Pyrolysis of superfine pulverized coal in different atmospheres. Part 1. Mechanisms of methane formation. Energy Conversion and Management 2014; 87: 1027-1038.
35.Jiaxun Liu, Xiumin Jiang, Jun Shen, Hai Zhang. Pyrolysis of superfine pulverized coal in different atmospheres. Part 2. Mechanisms of carbon monoxide formation. Energy Conversion and Management 2014; 87: 1039-1049.
36.Jiaxun Liu, Xiumin Jiang, Jun Shen, Hai Zhang. Chemical properties of superfine pulverized coal particles. Part 1. Electron paramagnetic resonance analysis of free radical characteristics. Advanced Powder Technology 2014; 25: 916-925.
37.Jiaxun Liu, Yang Ma, Lei Luo, Junfang Ma, Hai Zhang, Xiumin Jiang. Pyrolysis of superfine pulverized coal. Part 4. Evolution of functionalities in chars. Energy Conversion and Management 2017; 134: 32-46.
38.Jiaxun Liu, Xiumin Jiang, Yuchen Zhang, Jun Shen, Hai Zhang. Size effects on the thermal behavior of superfine pulverized coal ash. Energy Conversion and Management 2016; 123: 280-289.
39.Jiaxun Liu, Shan Gao, Xiumin Jiang, Jun Shen, Hai Zhang. NO emission characteristics of superfine pulverized coal combustion in the O2/CO2 atmosphere. Energy Conversion and Management 2014; 77: 349-355.
40.Jiaxun Liu, Xiumin Jiang, Xiangxin Han, Jun Shen, Hai Zhang. Chemical properties of superfine pulverized coals. Part 2. Demineralization effects on free radical characteristics. Fuel 2014; 115: 685-696.
41.Jun Shen, Xiumin Jiang, Jiaxun Liu, Xiangyong Huang, Hai Zhang. Investigation of NOx emissions for superfine pulverized coal in air-staging combustion. Energy and Fuels 2011; 25: 4999-5006.