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M

Markus Meuwly

university of basel

49H指数
500论文数
1.0W被引数
收录论文 162
发表时间
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Tripeptide-Dynamics from Empirical and Machine-Learned Energy Functions来自经验与机器学习能量函数的三肽动力学
errBiophysical Journal
IF3.1
err2026-05-04
err0
errOAAI
errSena Aydin; Valerii Andreichev; Pantelis Maragkoudakis; Markus Meuwly
err分享
err收藏
Structure and Spectroscopy of Criegee Intermediates in Gas- and Aqueous Environments气相和水环境中Criegee中间体的结构与光谱学
errHelvetica Chimica Acta
IF1.8
err2026-05-01
err0
PREAI
errYin, Cangtao; Upadhyay, Meenu; Meuwly, Markus
err分享
err收藏
High-Accuracy Molecular Simulations with Machine-Learning Potentials and Semiclassical Approximations to Quantum Dynamics基于机器学习势能和高斯-海森堡量子动力学半经典近似的超高精度分子模拟
errCHIMIA
IF1.6
err2026-05-01
err0
PREAI
errAndreichev, Valerii; Dusek, Jindra; Meuwly, Markus; Richardson, Jeremy O.
err分享
err收藏
Efficient and Equivariant Prediction of Distributed Charges for Accurate Molecular Electrostatics高效且等变分布电荷预测以实现精确分子静电学
errJournal of Chemical Theory and Computation
IF5.5
err2026-04-23
err0
PREAI
errEric D. Boittier; Markus Meuwly
err分享
err收藏
Design; assessment; and application of machine learning potential energy surfaces设计、评估和应用机器学习势能面
errmachine learning: science and technology
IF0
err2026-03-13
err0
errOAAI
errValerii Andreichev; Sena Aydin; Kai Töpfer; Markus Meuwly; Luis Itza Vazquez-Salazar
err分享
err收藏
Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence利用人工智能提升计算催化与化学反应活性
errJournal of the American Chemical Society
IF15.6
err2026-02-20
err0
PREAI
errKonstantinos D. Vogiatzis; Clémence Corminboeuf; Ainara Nova; Kjell Jorner; Johannes Kästner; Markus Meuwly; Philippe Schwaller; Victor Böttcher; Maria Drosou; Edvin Fako; Hannes Hoppe; Zarko Ivkovic; Nestor Iwanojko; Dimitrios A. Pantazis; Stefan P. Schmid; Kalman Szenes; Auguste Tetenoire; Markus Reiher
err分享
err收藏
Cluster Models for Next-Generation, Machine-Learning-Based Energy Functions for Molecular Simulations用于分子模拟的下一代基于机器学习的能量函数聚类模型
errSmall Structures
IF11.3
err2026-02-15
err0
errOAAI
errJingChun Wang; Meenu Upadhyay; Eric D. Boittier; Kham Lek Chaton; Valerii Andreichev; Mike Devereux; Raidel Martin Barrios; Shimoni Patel; Sena Aydin; Kai Töpfer; Markus Meuwly
err分享
err收藏
A state-space-view of atom-diatom reactions relevant to rarefied gas flow稀薄气体流动中原子-双原子反应的状态空间视角
errMolecular Physics
IF1.8
err2026-01-01
err1
errOAAI
errVijayakumar, Abhirami; Barrios, Raidel Martin; Meuwly, Markus
err分享
err收藏
Compact Kernel/Neural Network Representation for Accurate, Fast, and Global Reactive Molecular Potential Energy Surfaces紧凑核/神经网络表示法用于准确、快速和全局反应性分子势能面
errPrecision Chemistry
IF6.2
err2026-01-01
err0
PREAI
errKaser, Silvan; Koner, Debasish; Meuwly, Markus
err分享
err收藏
Dynamics of protonated oxalate from machine-learned simulations and experiment: infrared signatures; proton transfer dynamics and tunneling splittings草酸根质子化动力学：基于机器学习模拟与实验的研究——红外特征、质子转移动力学及隧穿分裂
errPhys. Chem. Chem. Phys.
IF0
err2025-10-21
err0
errOAAI
errValerii Andreichev; Silvan Käser †; Erica L. Bocanegra; Madeeha Salik; Mark A. Johnson; Markus Meuwly
err分享
err收藏
Rotational; vibrational; conformational and diastereomeric dimer cooling of aminoalcohols in soft supersonic expansions and the monohydrate of dimethylaminoethanol旋转；振动；构象和差向异构二聚体冷却在软超声速膨胀中的氨基酸醇及其单水合物（dimethylaminoethanol）
errPhys. Chem. Chem. Phys.
IF2.9
err2025-08-11
err0
errOAAI
errEaindra Lwin; Mathis J. Gölz; Nils O. B. Lüttschwager; Martin A. Suhm; Silvan Käser ‡; Valerii Andreichev; Magalie A. Brandes; Markus Meuwly
err分享
err收藏
Asparagus: A toolkit for autonomous, user-guided construction of machine-learned potential energy surfaces
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2025-03-01
err0
errOAAI
errTopfer, Kai; Vazquez-Salazar, Luis Itza; Meuwly, Markus
err分享
err收藏
Stabilization of a protein by a single halogen-based aromatic amplifier通过单一卤素基芳香放大器对蛋白质的稳定化
errPROTEIN SCIENCE
IF5.2
err2025-02-19
err0
errOAAI
errEl Hage, Krystel; Dhayalan, Balamurugan; Chen, Yen-Shan; Phillips, Nelson B.; Whittaker, Jonathan; Carr, Kelley; Whittaker, Linda; Phillips, Manijeh H.; Ismail-Beigi, Faramarz; Meuwly, Markus
err分享
err收藏
Energy relaxation of N2O in gaseous, supercritical, and liquid xenon and SF6
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-11-11
err0
errOAAI
errTopfer, Kai; Erramilli, Shyamsunder; Ziegler, Lawrence D.; Meuwly, Markus
err分享
err收藏
CO2 and NO2 formation on amorphous solid water
errASTRONOMY & ASTROPHYSICS
IF5.8
err2024-09-23
err0
errOAAI
errUpadhyay, Meenu; Meuwly, Markus
err分享
err收藏
Kernel-Based Minimal Distributed Charges: A Conformationally Dependent ESP-Model for Molecular Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-09-04
err2
PREAI
errBoittier, Eric; Toepfer, Kai; Devereux, Mike; Meuwly, Markus
err分享
err收藏
SCN as a local probe of protein structural dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-02
err0
errOAAI
errAydin, Sena; Salehi, Seyedeh Maryam; Toepfer, Kai; Meuwly, Markus
err分享
err收藏
Systematic improvement of empirical energy functions in the era of machine learning
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-05-02
err4
errOAAI
errDevereux, Mike; Boittier, Eric D.; Meuwly, Markus
err分享
err收藏
Improving potential energy surfaces using measured Feshbach resonance states
errSCIENCE ADVANCES
IF12.5
err2024-03-01
err1
errOAAI
errHorn, Karl P.; Vazquez-Salazar, Luis Itza; Koch, Christiane P.; Meuwly, Markus
err分享
err收藏
PhysNet meets CHARMM: A framework for routine machine learning/molecular mechanics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-12
err12
errOAAI
errSong, Kaisheng; Kaser, Silvan; Topfer, Kai; Vazquez-Salazar, Luis Itza; Meuwly, Markus
err分享
err收藏

研究方向

暂无研究方向
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