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Adarsh V. Kalikadien

delft university of technology

5H指数
21论文数
88被引数
收录论文 11
发表时间
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Cost-Effective Quantum-Mechanical Workflows for Molecular Machine Learning成本效益量子力学工作流用于分子机器学习
errACS Catalysis
IF13.1
err2026-05-26
err0
errOAAI
errDavid Dalmau; Lauriane Jacot-Descombes; Adarsh Kalikadien; Brenda Manzanilla; Evgeny A. Pidko; Kjell Jorner; Matthew S. Sigman; Juan V. Alegre-Requena
err分享
err收藏
Performance of Meta's Universal Model for Atoms across the Conformational and Configurational Space of Diverse Transition-Metal CatalystsMeta的通用原子模型在多样化过渡金属催化剂的构象和构型空间中的性能
errJournal of Physical Chemistry A
IF2.8
err2026-02-01
err0
errOAAI
errKalikadien, Adarsh V.; Pidko, Evgeny A.
err分享
err收藏
Unveiling the impact of ligand configurations and structural fluxionality on virtual screening of transition-metal complexes揭示配体构型与结构流变对过渡金属配合物虚拟筛选的影响
errDigital Discovery
IF5.6
err2025-07-26
err0
errOAAI
errAdarsh V. Kalikadien; Niels J. van der Lem; Cecile Valsecchi; Laurent Lefort; Evgeny A. Pidko
err分享
err收藏
Data-Driven Virtual Screening of Conformational Ensembles of Transition-Metal Complexes基于数据的过渡金属配合物构象集合的虚拟筛选
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-05-09
err0
errOAAI
errFinta, Sara; Kalikadien, Adarsh V.; Pidko, Evgeny A.
err分享
err收藏
Discovering synthesis targets: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAnker, Andy S.; Aspuru-Guzik, Alan; Bechtel, Tim; Bigi, Filippo; Briling, Ksenia R.; Das, Basita; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Dyer, Matthew; Eardley-Brunt, Annabel; Evans, Matthew L.; Evans, Rob; Franklin, Barnabas A.; Ganose, Alex M.; George, Janine; Goulding, Mark; Hickey, Niamh; James, Gillian; Kalikadien, Adarsh V.; Kapil, Venkat; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lam, Erwin; Lederbauer, Magdalena; Lou, Yuchen; Martin, Jennie; Bran, Andres Marulanda; Mathea, Miriam; Pickard, Chris J.; Ruscic, Branko; Ryder, Matthew R.; Gil, Victor Sabanza; Schwaller, Philippe; Segler, Marwin H. S.; Sun, Wenhao; Tanovic, Sara; Treyde, Wojtek; Walsh, Aron; Wu, Ruiqi
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Discovering chemical structure: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAspuru-Guzik, Alan; Bechtel, Tim; Bernales, Varinia; Biggin, Philip C.; Bigi, Filippo; Borges Jr, Itamar; Briling, Ksenia R.; Cheung, Joshua; Collins, Christopher M.; Darmawan, Kevion K.; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Draxl, Claudia; Dyer, Matthew; Eardley-Brunt, Annabel; Evans, Rob; Fairlamb, Ian; Franklin, Barnabas A.; George, Janine; Goulding, Mark; Grundy, Joanna; Hafizi, Roohollah; Hakkennes, Matthijs; Hickey, Niamh; James, Gillian; Juraskova, Veronika; Kalikadien, Adarsh V.; Kapil, Venkat; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lederbauer, Magdalena; Lou, Yuchen; Mante, Eltjo; Marsh, Liam; Martin, Jennie; Middleton, Clelia; Nematiaram, Tahereh; Pare, Charles W. P.; Pasca, Bianca; Pickard, Chris J.; Ruscic, Branko; Ryder, Matthew R.; Savoie, Brett M.; Sun, Wenhao; Szczypinski, Filip T.; Taniguchi, Takuya; Torrisi, Steven; Vishnoi, Shubham; Walsh, Aron; Wang, Shirui
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Discovering trends in big data: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAlbornoz, Ricardo Valencia; Antypov, Dmytro; Blanke, Gerd; Borges Jr, Itamar; Bran, Andres Marulanda; Cheung, Joshua; Collins, Christopher M.; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Draxl, Claudia; Eardley-Brunt, Annabel; Evans, Matthew L.; Fairlamb, Ian; Fieseler, Kate; Franklin, Barnabas A.; George, Janine; Grundy, Joanna; Johal, Jay; Kalikadien, Adarsh V.; Kapil, Venkat; Kotopanov, Lyubomir; Kumar, Vishank; Kuttner, Christian; Lederbauer, Magdalena; Ojeda-Porras, Andrea Carolina; Pang, Jiayun; Parkes, Michael; Pemberton, Miles; Ruscic, Branko; Ryder, Matthew R.; Sakaushi, Ken; Saleh, Gabriele; Savoie, Brett M.; Schwaller, Philippe; Skjelstad, Bastian Bjerkem; Sun, Wenhao; Taniguchi, Takuya; Taylor, Christopher R.; Torrisi, Steven; Vishnoi, Shubham; Walsh, Aron; Wu, Ruiqi
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err收藏
Discovering structure-property correlations: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2025-01-01
err0
PREAI
errAnker, Andy S.; Aspuru-Guzik, Alan; Ben Mahmoud, Chiheb; Bennett, Sophie; Briling, Ksenia R.; Changiarath, Arya; Chong, Sanggyu; Collins, Christopher M.; Cooper, Andrew I.; Crusius, Daniel; Darmawan, Kevion K.; Das, Basita; David, Nicholas; Day, Graeme M.; Deringer, Volker L.; Duarte, Fernanda; Eardley-Brunt, Annabel; Evans, Matthew L.; Evans, Rob; Fairlamb, Ian; Franklin, Barnabas A.; Frey, Jeremy; Ganose, Alex M.; Goulding, Mark; Hafizi, Roohollah; Hakkennes, Matthijs; Hickey, Niamh; James, Gillian; Jelfs, Kim E.; Kalikadien, Adarsh V.; Kapil, Venkat; Koczor-Benda, Zsuzsanna; Krammer, Ferdinand; Kulik, Heather J.; Kumar, Vishank; Kuttner, Christian; Lam, Erwin; Lou, Yuchen; Mante, Eltjo; Martin, Jennie; Mroz, Austin M.; Nematiaram, Tahereh; Pare, Charles W. P.; Patra, Sarbani; Proudfoot, James; Ruscic, Branko; Ryder, Matthew R.; Sakaushi, Ken; Sassmannshausen, Joerg; Savoie, Brett M.; Schneider, Nadine; Schwaller, Philippe; Skjelstad, Bastian Bjerkem; Sun, Wenhao; Szczypinski, Filip T.; Torrisi, Steven; Ueltzen, Katharina; Vishnoi, Shubham; Walsh, Aron; Wang, Xinwei; Wilson, Chloe; Wu, Ruiqi; Zeitler, Jakob
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Impact of Model Selection and Conformational Effects on the Descriptors for In Silico Screening Campaigns: A Case Study of Rh-Catalyzed Acrylate Hydrogenation
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-05-02
err3
errOAAI
errBaidun, Margareth S.; Kalikadien, Adarsh V.; Lefort, Laurent; Pidko, Evgeny A.
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Probing machine learning models based on high throughput experimentation data for the discovery of asymmetric hydrogenation catalysts
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errKalikadien, Adarsh V.; Valsecchi, Cecile; van Putten, Robbert; Maes, Tor; Muuronen, Mikko; Dyubankova, Natalia; Lefort, Laurent; Pidko, Evgeny A.
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ChemSpaX: exploration of chemical space by automated functionalization of molecular scaffold
errDIGITAL DISCOVERY
IF5.6
err2022-01-01
err7
errOAAI
errKalikadien, Adarsh V.; Pidko, Evgeny A.; Sinha, Vivek
err分享
err收藏

研究方向

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合作学者
合作期刊
A
Andrew I. Cooper
H 指数: 134 · 论文数: 834
A
Aron Walsh
H 指数: 126 · 论文数: 987
A
Alán Aspuru‐Guzik
H 指数: 114 · 论文数: 940
M
Matthew S. Sigman
H 指数: 99 · 论文数: 579
C
Chris J. Pickard
H 指数: 92 · 论文数: 512
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