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1

Introducing Machine Learning: Science and Technology

von Lilienfeld, O Anatole

Journal:

Machine Learning: Science and Technology

Year:

2020

File:

PDF, 185 KB

2020

2

Machine learning the computational cost of quantum chemistry

Heinen, Stefan, Schwilk, Max, von Rudorff, Guido Falk, von Lilienfeld, O Anatole

Journal:

Machine Learning: Science and Technology

Year:

2020

Language:

english

File:

PDF, 1.77 MB

english, 2020

3

Machine Learning for Quantum Mechanical Properties of Atoms in Molecules

Rupp, Matthias, Ramakrishnan, Raghunathan, von Lilienfeld, O. Anatole

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 1.11 MB

english, 2015

4

The Political Economy of Debt Bondage

Ulf von Lilienfeld-Toal and Dilip Mookherjee

Journal:

American Economic Journal Microeconomics

Year:

2010

Language:

english

File:

PDF, 3.60 MB

english, 2010

5

CEO Ownership, Stock Market Performance, and Managerial Discretion

LILIENFELD-TOAL, ULF VON, RUENZI, STEFAN

Journal:

The Journal of Finance

Year:

2014

Language:

english

File:

PDF, 360 KB

english, 2014

6

Operators in quantum machine learning: Response properties in chemical space

Christensen, Anders S., Faber, Felix A., von Lilienfeld, O. Anatole

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.38 MB

english, 2019

7

Simple intrinsic defects in gallium arsenide

Schultz, Peter A, von Lilienfeld, O Anatole

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2009

Language:

english

File:

PDF, 548 KB

english, 2009

8

The Political Economy of Debt Bondage

von Lilienfeld-Toal, Ulf, Mookherjee, Dilip

Journal:

American Economic Journal Microeconomics

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

9

A General Equilibrium Analysis of Personal Bankruptcy Law

von Lilienfeld-Toal, Ulf, Mookherjee, Dilip

Journal:

Year:

2016

Language:

english

File:

PDF, 397 KB

english, 2016

10

[Lecture Notes in Physics] Machine Learning Meets Quantum Physics Volume 968 ||

SchÃ¼tt, Kristof T., Chmiela, Stefan, von Lilienfeld, O. Anatole, Tkatchenko, Alexandre, Tsuda, Koji, MÃ¼ller, Klaus-Robert

Year:

2020

File:

PDF, 16.80 MB

2020

11

Translation of Walter Noll’s “Derivation of

Richard B. Lehoucq, Anatole Von Lilienfeld-Toal

Journal:

Journal of Elasticity

Year:

2010

Language:

english

File:

PDF, 497 KB

english, 2010

12

Exploring chemical compound space with quantum-based machine learning

von Lilienfeld, O. Anatole, MÃ¼ller, Klaus-Robert, Tkatchenko, Alexandre

Journal:

Nature Reviews Chemistry

Year:

2020

File:

PDF, 2.95 MB

2020

13

An Audit of Efficacy and Toxicity of Teicoplanin Versus Vancomycin in Febrile Neutropenia: Is the Different Toxicity Profile Clinically Relevant?

C. Hahn-Ast, A. Glasmacher, A. Arns, A. Mühling, K. Orlopp, G. Marklein, M. Von Lilienfeld-Toal

Journal:

Year:

2008

Language:

english

File:

PDF, 218 KB

english, 2008

14

A systematic review of phase II trials of thalidomide/dexamethasone combination therapy in patients with relapsed or refractory multiple myeloma

Marie Von Lilienfeld-Toal, Corinna Hahn-Ast, Kerstin Furkert, Florian Hoffmann, Ralph Naumann, Ralf Bargou, Gordon Cook, Axel Glasmacher

Journal:

European Journal of Haematology

Year:

2008

Language:

english

File:

PDF, 204 KB

english, 2008

15

B325 Immune Dysregulation in MGUS: Evidence that MGUS Is Not an Immunologically Inert State

Feyler, S, Eccles, K, Rawstron, A, Owen, RG, von Lilienfeld-Toan, M, Jarmin, SJ, Ahcroft, J, Cook, G

Journal:

Clinical Lymphoma & Myeloma

Year:

2009

Language:

english

File:

PDF, 114 KB

english, 2009

16

Molecular grand-canonical ensemble density functional theory and exploration of chemical space

von Lilienfeld, O. Anatole, Tuckerman, Mark E.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 560 KB

english, 2006

17

Modeling electronic quantum transport with machine learning

Lopez-Bezanilla, Alejandro, von Lilienfeld, O. Anatole

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1006 KB

english, 2014

18

Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding

Al-Hamdani, Yasmine S., Alfè, Dario, von Lilienfeld, O. Anatole, Michaelides, Angelos

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 840 KB

english, 2014

19

Force correcting atom centred potentials for generalised gradient approximated density functional theory: Approaching hybrid functional accuracy for geometries and harmonic frequencies in small chlorofluorocarbons

Lilienfeld, O. Anatole von

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 120 KB

english, 2013

20

Fourier series of atomic radial distribution functions: A molecular fingerprint for machine learning models of quantum chemical properties

von Lilienfeld, O. Anatole, Ramakrishnan, Raghunathan, Rupp, Matthias, Knoll, Aaron

Journal:

International Journal of Quantum Chemistry

Year:

2015

Language:

english

File:

PDF, 586 KB

english, 2015

21

Crystal structure representations for machine learning models of formation energies

Faber, Felix, Lindmaa, Alexander, von Lilienfeld, O. Anatole, Armiento, Rickard

Journal:

International Journal of Quantum Chemistry

Year:

2015

Language:

english

File:

PDF, 502 KB

english, 2015

22

Fast and accurate predictions of covalent bonds in chemical space

Chang, K. Y. Samuel, Fias, Stijn, Ramakrishnan, Raghunathan, von Lilienfeld, O. Anatole

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.01 MB

english, 2016

23

Electronic spectra from TDDFT and machine learning in chemical space

Ramakrishnan, Raghunathan, Hartmann, Mia, Tapavicza, Enrico, von Lilienfeld, O. Anatole

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 620 KB

english, 2015

24

Genetic Optimization of Training Sets for Improved Machine Learning Models of Molecular Properties

Browning, Nicholas J., Ramakrishnan, Raghunathan, von Lilienfeld, O. Anatole, Roethlisberger, Ursula

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 2.40 MB

english, 2017

25

Prediction errors of molecular machine learning models lower than hybrid DFT error

Faber, Felix A, Hutchison, Luke, Huang, Bing, Gilmer, Justin, Schoenholz, Samuel S, Dahl, George E, Vinyals, Oriol, Kearnes, Steven, Riley, Patrick F, von Lilienfeld, O. Anatole

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.37 MB

english, 2017

26

Constant size descriptors for accurate machine learning models of molecular properties

Collins, Christopher R., Gordon, Geoffrey J., von Lilienfeld, O. Anatole, Yaron, David J.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 676 KB

english, 2018

27

Torsional potentials of glyoxal, oxalyl halides and their thiocarbonyl derivatives: Challenges for popular density functional approximations

Tahchieva, Diana N., Bakowies, Dirk, Ramakrishnan, Raghunathan, von Lilienfeld, O. Anatole

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.57 MB

english, 2018

28

Alchemical Normal Modes Unify Chemical Space

Fias, Stijn, Chang, Samuel, von Lilienfeld, O. Anatole

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 2.01 MB

english, 2018

29

Management of sepsis in neutropenic cancer patients: 2018 guidelines from the Infectious Diseases Working Party (AGIHO) and Intensive Care Working Party (iCHOP) of the German Society of Hematology and Medical Oncology (DGHO)

Kochanek, Matthias, Schalk, E., von Bergwelt-Baildon, M., Beutel, G., Buchheidt, D., Hentrich, M., Henze, L., Kiehl, M., Liebregts, T., von Lilienfeld-Toal, M., Classen, A., Mellinghoff, S., Penack, O

Journal:

Annals of Hematology

Year:

2019

Language:

english

File:

PDF, 776 KB

english, 2019

30

Rapid and accurate molecular deprotonation energies from quantum alchemy

von Rudorff, Guido Falk, von Lilienfeld, Anatole

Journal:

Physical Chemistry Chemical Physics

Year:

2020

Language:

english

File:

PDF, 1.99 MB

english, 2020

31

Neural networks and kernel ridge regression for excited states dynamics of CH 2 NH$_2^+$: From single-state to multi-state representations and multi-property machine learning models

Westermayr, Julia, Faber, Felix A, Christensen, Anders S, von Lilienfeld, O Anatole, Marquetand, Philipp

Journal:

Machine Learning: Science and Technology

Year:

2020

File:

PDF, 1.18 MB

2020

32

ML Models of Vibrating H 2 CO: Comparing Reproducing Kernels, FCHL and PhysNet

KÃ¤ser, Silvan, Koner, Debasish, Christensen, Anders S., von Lilienfeld, O. Anatole, Meuwly, Markus

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 2.77 MB

2020

33

Risk assessment of patients with hematologic malignancies who develop fever accompanied by pulmonary infiltrates : A historical cohort study

Marie von Lilienfeld-Toal, Axel Glasmacher

Journal:

Year:

2005

Language:

english

File:

PDF, 38 KB

english, 2005

34

Hepatitis C virus E2 and CD81 interaction may be associated with altered trafficking of dendritic cells in chronic hepatitis C

Jacob Nattermann, Henning Zimmermann, Agathe Iwan, Marie von Lilienfeld-Toal, Ludger Leifeld, Hans Dieter Nischalke, Bettina Langhans, Tilman Sauerbruch, Ulrich Spengler

Journal:

Year:

2006

Language:

english

File:

PDF, 1.20 MB

english, 2006

35

Soluble MIC is elevated in the serum of patients with pancreatic carcinoma diminishing γδ T cell cytotoxicity

Angela Märten, Marie von Lilienfeld-Toal, Markus W. Büchler, Jan Schmidt

Journal:

International Journal of Cancer

Year:

2006

Language:

english

File:

PDF, 309 KB

english, 2006

36

Lenalidomide in combination with dexamethasone for the treatment of relapsed or refractory multiple myeloma

Antonio Palumbo, Meletios Dimopoulos, Jesus San Miguel, Jean-Luc Harousseau, Michel Attal, Mohamad Hussein, Stefan Knop, Heinz Ludwig, Marie von Lilienfeld-Toal, Pieter Sonneveld

Journal:

Year:

2009

Language:

english

File:

PDF, 194 KB

english, 2009

37

Comparison of phenotype of γδ T cells generated using various cultivation methods

Stefan Mehrle, Carsten Watzl, Marie von Lilienfeld-Toal, Alfredo Amoroso, Jan Schmidt, Angela Märten

Journal:

Immunology Letters

Year:

2009

Language:

english

File:

PDF, 649 KB

english, 2009

38

P148 Management of non-haematological adverse events in MDS patients treated with lenalidomide

A. Giagounidis, M. Cazzola, P. Fenaux, G. Mufti, P. Muus, U. Platzbecker, G. Sanz, L. Cripe, M. Von Lilienfeld-Toal, R. Wells

Journal:

Leukemia Research

Year:

2007

Language:

english

File:

PDF, 65 KB

english, 2007

39

P147 Management of haematological adverse events in MDS patients treated with lenalidomide

A. Giagounidis, M. Cazzola, P. Fenaux, G. Mufti, P. Muus, U. Platzbecker, G. Sanz, L. Cripe, M. Von Lilienfeld-Toal, R. Wells

Journal:

Leukemia Research

Year:

2007

Language:

english

File:

PDF, 55 KB

english, 2007

40

Isolated γδ T cells express natural cytotoxicity receptors

M von Lilienfeld-Toal, J Nattermann, G Feldmann, IGH Schmidt-Wolf

Journal:

Cancer Cell International

Year:

2004

Language:

english

File:

PDF, 204 KB

english, 2004

41

Anti-tumoral capabilities of effector cells after IFN-α or CpG-motif treatment of cocultured dendritic cells

Michael Erhardt, Ingo G. H. Schmidt-Wolf, Elisabeth Sievers, Susanne Frank, John Strehl, Marie von Lilienfeld-Toal, Marcus Gorschlüter

Journal:

Archivum Immunologiae et Therapiae Experimentalis

Year:

2006

Language:

english

File:

PDF, 198 KB

english, 2006

42

Reduced immune effector cell NKG2D expression and increased levels of soluble NKG2D ligands in multiple myeloma may not be causally linked

Marie von Lilienfeld-Toal, Susanne Frank, Christiane Leyendecker, Sylvia Feyler, Sarah Jarmin, Ruth Morgan, Axel Glasmacher, Angela Märten, Ingo G. H. Schmidt-Wolf, Peter Brossart, Gordon Cook

Journal:

Cancer Immunology, Immunotherapy

Year:

2010

Language:

english

File:

PDF, 482 KB

english, 2010

43

Absent immunoglobulins in HIV-related Burkitt lymphoma/leukaemia

Akihiko Shimomura, Marie von Lilienfeld-Toal, Zeynep Balta, Elisabeth Schroers, Ingo G. H. Schmidt-Wolf, Reinhard Büttner, Alexander von Rücker, Ines Gütgemann

Journal:

Annals of Hematology

Year:

2008

Language:

english

File:

PDF, 123 KB

english, 2008

44

Practical recommendations on the use of lenalidomide in the management of myelodysplastic syndromes

Aristoteles Giagounidis, Pierre Fenaux, Ghulam J. Mufti, Petra Muus, Uwe Platzbecker, Guillermo Sanz, Larry Cripe, Marie Von Lilienfeld-Toal, Richard A. Wells

Journal:

Annals of Hematology

Year:

2008

Language:

english

File:

PDF, 167 KB

english, 2008

45

Intermediate intensity conditioning regimen containing FLAMSA, treosulfan, cyclophosphamide, and ATG for allogeneic stem cell transplantation in elderly patients with relapsed or high-risk acute myeloid leukemia

Jens Marcus Chemnitz, Marie von Lilienfeld-Toal, Udo Holtick, Sebastian Theurich, Alexander Shimabukuro-Vornhagen, Anke Krause, Peter Brossart, Michael Hallek, Christof Scheid

Journal:

Annals of Hematology

Year:

2012

Language:

english

File:

PDF, 166 KB

english, 2012

46

Change of procalcitonin predicts clinical outcome of febrile episodes in patients with hematological malignancies

M. von Lilienfeld-Toal, A. Schneider, K. Orlopp, C. Hahn-Ast, A. Glasmacher, F. Stüber

Journal:

Supportive Care in Cancer

Year:

2006

Language:

english

File:

PDF, 102 KB

english, 2006

47

Asset Ownership and the Threat to Sell

Ulf von Lilienfeld-Toal

Journal:

Journal of Economics

Year:

2003

Language:

english

File:

PDF, 290 KB

english, 2003

48

Markers of bacteremia in febrile neutropenic patients with hematological malignancies: procalcitonin and IL-6 are more reliable than C-reactive protein

M. von Lilienfeld-Toal, M. P. Dietrich, A. Glasmacher, L. Lehmann, P. Breig, C. Hahn, I. G. H. Schmidt-Wolf, G. Marklein, S. Schroeder, F. Stuber

Journal:

European Journal of Clinical Microbiology & Infectious Diseases

Year:

2004

Language:

english

File:

PDF, 106 KB

english, 2004

49

Coculture with dendritic cells promotes proliferation but not cytotoxic activity of γ/δ T cells

M. von Lilienfeld-Toal, E. Sievers, V. Bodemüller, C. Mihailescu, A. Märten, M. Gorschlüter, I.G.H. Schmidt-Wolf

Journal:

Immunology Letters

Year:

2005

Language:

english

File:

PDF, 237 KB

english, 2005

50

A novel approach to non-invasive glucose measurement by mid-infrared spectroscopy: The combination of quantum cascade lasers (QCL) and photoacoustic detection

Hermann von Lilienfeld-Toal, Michael Weidenmüller, Arian Xhelaj, Werner Mäntele

Journal:

Vibrational Spectroscopy

Year:

2005

Language:

english

File:

PDF, 465 KB

english, 2005

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